69224316
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2.866
2.866
5.8347
6.8288
6.358
8.316
6.3465
6.358
5.535
7.1444
5.4641
5.4641
7.2641
8.0985
4.559
4.5981
5.1583
4.5981
3.732
3.732
7.2641
3.8826
4.1822
8.835
9.27
9.789
10.0066
9.4876
2
2.866
7.7998
4.3732
4.5981
5.3441
4.5981
7.7998
3.2774
3.7629
8.7001
10.2457
10.5981
10.0927
9.6224
8.8824
2.31
1.4631
1.69
3.486
2.866
2.246
0.1497
2.1497
-2.4132
-2.4204
2.1844
-0.202
-0.8849
0.1151
-1.4591
-1.4777
0.6497
1.6497
0.6289
-1.1781
-1.2416
0.1497
-3.1497
2.1497
0.6497
1.6497
1.6705
-1.9782
-2.9322
-1.8545
0.0976
-1.5549
-0.5788
1.0737
0.6497
3.1497
0.3168
-0.6501
-0.4703
-3.7412
2.7697
1.9826
-1.8433
-3.3888
-2.4597
-1.9742
-0.393
0.9388
1.6788
1.2085
1.1866
0.9597
0.1128
3.1497
3.7697
3.1497
8
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8
3
3
3
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0
Compound
Canonicalized
5
2012.11.26
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
577
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
5
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
0
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07BB0000000000000000000000000000001600000003C58B1000000000058B1FE00001E00080000000C0CC19E063EC6F2081400A20334674400928C2031A22018D8203EEC980D66E2C4F1DB94B42A66C819CAE807B0D0F30EA0400102000240004080020400048000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
6,7-dimethoxy-4-[2-(6-methyl-2-pyridyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
6,7-dimethoxy-4-[2-(6-methyl-2-pyridinyl)-3-pyrazolo[1,5-a]pyridinyl]quinoline
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
6,7-dimethoxy-4-[2-(6-methylpyridin-2-yl)pyrazolo[1,5-a]pyridin-3-yl]quinoline
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
6,7-dimethoxy-4-[2-(6-methylpyridin-2-yl)pyrazolo[1,5-a]pyridin-3-yl]quinoline
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
6,7-dimethoxy-4-[2-(6-methyl-2-pyridyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C24H20N4O2/c1-15-7-6-8-18(26-15)24-23(20-9-4-5-12-28(20)27-24)16-10-11-25-19-14-22(30-3)21(29-2)13-17(16)19/h4-14H,1-3H3
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
SKEVAOXQBKPQSC-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
3.9
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
396.158626
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C24H20N4O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
396.4412
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CC1=CC=CC(=N1)C2=NN3C=CC=CC3=C2C4=C5C=C(C(=CC5=NC=C4)OC)OC
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CC1=CC=CC(=N1)C2=NN3C=CC=CC3=C2C4=C5C=C(C(=CC5=NC=C4)OC)OC
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
61.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
396.158626
30
0
0
0
0
0
0
0
1
1