6-amino-3-methyl-1-phenyl-4-(2,3,4-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile

C23H21N5O3 — CID 4896111

IUPAC6-amino-3-methyl-1-phenyl-4-(2,3,4-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccccc2)c(OC)c1OC
InChIInChI=1S/C23H21N5O3/c1-13-18-19(15-10-11-17(29-2)21(31-4)20(15)30-3)16(12-24)22(25)26-23(18)28(27-13)14-8-6-5-7-9-14/h5-11H,1-4H3,(H2,25,26)
InChIKeyDKCAOWGJIVONAA-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.88
Rot. Bonds5

About 6-amino-3-methyl-1-phenyl-4-(2,3,4-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile

6-amino-3-methyl-1-phenyl-4-(2,3,4-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 4896111) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 6-amino-3-methyl-1-phenyl-4-(2,3,4-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-methyl-1-phenyl-4-(2,3,4-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID4896111
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name6-amino-3-methyl-1-phenyl-4-(2,3,4-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccccc2)c(OC)c1OC
InChIInChI=1S/C23H21N5O3/c1-13-18-19(15-10-11-17(29-2)21(31-4)20(15)30-3)16(12-24)22(25)26-23(18)28(27-13)14-8-6-5-7-9-14/h5-11H,1-4H3,(H2,25,26)
InChIKeyDKCAOWGJIVONAA-UHFFFAOYSA-N
XLogP3.88
TPSA108.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 4890247
6-amino-4-(1H-indol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 4886426
2-amino-6-methoxy-4-(2,3,4-trimethoxyphenyl)pyridine-3,5-dicarbonitrile
CID 6491035
2-amino-4-(2,3-dimethoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 4633482
4-(2-hydroxyphenyl)-6-(3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 162655433
2-amino-6-(furan-2-ylmethylsulfanyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3,5-dicarbonitrile
CID 25249608
2-amino-5,6-dimethoxy-4-phenylquinoline-3-carbonitrile
CID 70227227
2-amino-4-(2,3-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile
CID 6491041
2-amino-6-methyl-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 5197805
2-amino-6-(2-bromophenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 5117892
4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-6-carbonitrile
CID 126743745
2-amino-6-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 5230020

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-1-phenyl-4-(2,3,4-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 6-amino-3-methyl-1-phenyl-4-(2,3,4-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 4896111) is 6-amino-3-methyl-1-phenyl-4-(2,3,4-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-amino-3-methyl-1-phenyl-4-(2,3,4-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-amino-3-methyl-1-phenyl-4-(2,3,4-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile is COc1ccc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccccc2)c(OC)c1OC.
What is the InChIKey of 6-amino-3-methyl-1-phenyl-4-(2,3,4-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is DKCAOWGJIVONAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-13-18-19(15-10-11-17(29-2)21(31-4)20(15)30-3)16(12-24)22(25)26-23(18)28(27-13)14-8-6-5-7-9-14/h5-11H,1-4H3,(H2,25,26).
What are the key properties of 6-amino-3-methyl-1-phenyl-4-(2,3,4-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile?
6-amino-3-methyl-1-phenyl-4-(2,3,4-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 415.45 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-1-phenyl-4-(2,3,4-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 4896111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).