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

C25H25N5O3 — CID 667260

IUPAC6-amino-1-(3,4-dimethylphenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1cc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccc(C)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C25H25N5O3/c1-13-7-8-17(9-14(13)2)30-25-21(15(3)29-30)22(18(12-26)24(27)28-25)16-10-19(31-4)23(33-6)20(11-16)32-5/h7-11H,1-6H3,(H2,27,28)
InChIKeyMJMWFHNAVKHBBQ-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.49
Rot. Bonds5

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

6-amino-1-(3,4-dimethylphenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 667260) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 6-amino-1-(3,4-dimethylphenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-amino-1-(3,4-dimethylphenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID667260
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name6-amino-1-(3,4-dimethylphenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1cc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccc(C)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C25H25N5O3/c1-13-7-8-17(9-14(13)2)30-25-21(15(3)29-30)22(18(12-26)24(27)28-25)16-10-19(31-4)23(33-6)20(11-16)32-5/h7-11H,1-6H3,(H2,27,28)
InChIKeyMJMWFHNAVKHBBQ-UHFFFAOYSA-N
XLogP4.49
TPSA108.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(3,4-dimethylphenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 6-amino-1-(3,4-dimethylphenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 667260) is 6-amino-1-(3,4-dimethylphenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-amino-1-(3,4-dimethylphenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-amino-1-(3,4-dimethylphenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile is COc1cc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccc(C)c(C)c2)cc(OC)c1OC.
What is the InChIKey of 6-amino-1-(3,4-dimethylphenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is MJMWFHNAVKHBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-13-7-8-17(9-14(13)2)30-25-21(15(3)29-30)22(18(12-26)24(27)28-25)16-10-19(31-4)23(33-6)20(11-16)32-5/h7-11H,1-6H3,(H2,27,28).
What are the key properties of 6-amino-1-(3,4-dimethylphenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile?
6-amino-1-(3,4-dimethylphenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 443.51 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(3,4-dimethylphenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 667260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).