49786470
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255
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13.7151
6.3301
11.5263
12.4725
2.866
9.7942
5.4641
12.4725
11.5263
10.6603
9.7942
12.7832
8.9282
13.0561
3.732
4.5981
10.6603
7.1962
8.9282
8.0622
13.7617
12.1153
8.0622
7.1962
6.3301
14.0723
12.426
13.4045
2
2.866
14.6937
15.3615
15.0043
16.34
15.9828
16.6507
10.6603
13.6761
3.3335
4.1306
4.9966
4.1996
10.6603
9.4651
8.0622
14.1757
11.5086
5.4641
8.0622
6.6592
14.679
12.0119
1.69
1.4631
2.31
3.486
2.866
2.246
15.1689
14.5903
16.7541
16.1754
17.2573
2.1219
1.0151
-1.9849
-3.2896
0.0151
-2.9849
-0.4849
-1.6802
-2.9849
-1.4849
-1.9849
-0.7296
-1.4849
-2.4849
-0.4849
0.0151
-3.4849
-0.4849
-0.4849
-1.9849
-0.5234
0.0147
0.0151
-1.4849
0.0151
0.4271
0.9652
1.1714
-0.4849
1.0151
2.3282
1.5838
3.2787
1.7901
3.4849
2.7406
-0.8649
-2.4849
-0.9598
-0.9598
0.4901
0.4901
-4.1049
-0.1749
-2.6049
-0.9849
-0.1132
-1.1049
0.6351
-1.7949
0.555
1.4267
0.052
-0.7949
-1.0218
1.0151
1.6351
1.0151
0.9945
3.7401
1.3286
4.0742
2.8684
8
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0
Compound
Canonicalized
5
2010.09.21
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
683
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
5
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
1
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
8
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07BB0000000000000000000000000000001600000003C60C100000000005801F400001E00100000000C0CC19F043FB69FCC1C00A8033777740082882D3532A009D8A13E7CD88C6EF2C4BD1B963928ECD613C8E9A798D8C38E6000000000000000C000000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[2-(dimethylamino)ethyl]-4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[2-(dimethylamino)ethyl]-4-[3-(4-phenoxyphenyl)-6-imidazo[1,2-a]pyrazinyl]benzamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[2-(dimethylamino)ethyl]-4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[2-(dimethylamino)ethyl]-4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[2-(dimethylamino)ethyl]-4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C29H27N5O2/c1-33(2)17-16-30-29(35)23-10-8-21(9-11-23)26-20-34-27(18-32-28(34)19-31-26)22-12-14-25(15-13-22)36-24-6-4-3-5-7-24/h3-15,18-20H,16-17H2,1-2H3,(H,30,35)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
FEHWRQTWEMENGY-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
4.9
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
477.216475
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C29H27N5O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
477.55698
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CN(C)CCNC(=O)C1=CC=C(C=C1)C2=CN3C(=CN=C3C=N2)C4=CC=C(C=C4)OC5=CC=CC=C5
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CN(C)CCNC(=O)C1=CC=C(C=C1)C2=CN3C(=CN=C3C=N2)C4=CC=C(C=C4)OC5=CC=CC=C5
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
71.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
477.216475
36
0
0
0
0
0
0
0
1
2