56603524
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3.3919
3.7579
4.7579
7.7988
8.2988
5.99
5.124
2.269
3.5259
3.2152
3.2152
3.7988
4.7988
2.269
5.2988
6.2988
2.858
1.403
5.2988
1.403
6.7988
6.7988
6.2988
3.1687
0.5369
0.5369
6.2988
7.7988
2.5008
4.1472
6.7988
8.2988
7.7988
2.8115
4.4579
3.79
8.2988
9.2988
4.2579
5.124
4.1325
4.9888
2.3111
2.4755
1.403
4.9888
1.403
6.6088
0
0
5.6788
8.1088
1.8942
4.5613
6.4888
8.9188
2.3974
5.0645
3.9826
8.8358
8.6088
7.7619
9.2988
9.9188
9.2988
6.5269
0.366
1.732
0
9.315
4.9849
0.866
2.366
9.815
11.0703
8.5103
10.1198
9.315
9.315
8.815
8.449
8.449
11.8146
10.3151
10.1811
8.315
9.315
7.583
10.1811
12.7651
9.815
8.815
6.717
7.583
13.5094
12.9713
5.851
6.717
5.851
14.4599
13.9219
14.6662
10.1811
4.9849
0.866
1.366
11.1982
7.9121
12.1066
11.3267
10.9351
10.718
7.695
10.718
10.1251
8.505
6.717
8.1199
13.3816
12.5099
5.314
6.717
14.9214
14.0497
15.2555
9.8711
10.718
10.4911
4.3649
4.9849
5.6049
1.176
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0
Compound
Canonicalized
5
2012.02.08
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
673
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
9
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
2
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
7
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07B39800000000000000000000000000001600000003C60C100000000005801F400001F00100800000C0CC19F163FBE9FCC1E00A80336F76C0082882D3132A009D8A03E7C988C6EE2C4B99B9430286CC013C8E82790D0F30EA0000200000800004000040000100000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-benzyl-2-[4-methoxy-3-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-[4-methoxy-3-(4-methoxyphenyl)phenyl]-N-(phenylmethyl)-3-imidazo[1,2-a]pyridinamine;2,2,2-trifluoroacetic acid
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-benzyl-2-[4-methoxy-3-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-[4-methoxy-3-(4-methoxyphenyl)phenyl]-N-(phenylmethyl)imidazo[1,2-a]pyridin-3-amine;2,2,2-tris(fluoranyl)ethanoic acid
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
benzyl-[2-[4-methoxy-3-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-3-yl]amine;2,2,2-trifluoroacetic acid
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C28H25N3O2.C2HF3O2/c1-32-23-14-11-21(12-15-23)24-18-22(13-16-25(24)33-2)27-28(29-19-20-8-4-3-5-9-20)31-17-7-6-10-26(31)30-27;3-2(4,5)1(6)7/h3-18,29H,19H2,1-2H3;(H,6,7)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
JDGWIZOWARDODA-UHFFFAOYSA-N
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
549.187541
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C30H26F3N3O4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
549.54035
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
COC1=CC=C(C=C1)C2=C(C=CC(=C2)C3=C(N4C=CC=CC4=N3)NCC5=CC=CC=C5)OC.C(=O)(C(F)(F)F)O
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
COC1=CC=C(C=C1)C2=C(C=CC(=C2)C3=C(N4C=CC=CC4=N3)NCC5=CC=CC=C5)OC.C(=O)(C(F)(F)F)O
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
85.1
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
549.187541
40
0
0
0
0
0
0
0
2
1