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

C24H23N5O3 — CID 4893324

IUPAC6-amino-3-methyl-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1cc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C24H23N5O3/c1-13-6-8-16(9-7-13)29-24-20(14(2)28-29)21(17(12-25)23(26)27-24)15-10-18(30-3)22(32-5)19(11-15)31-4/h6-11H,1-5H3,(H2,26,27)
InChIKeyXGJPVJOMGOKRRF-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.18
Rot. Bonds5

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

6-amino-3-methyl-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 4893324) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 6-amino-3-methyl-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-methyl-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID4893324
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name6-amino-3-methyl-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1cc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C24H23N5O3/c1-13-6-8-16(9-7-13)29-24-20(14(2)28-29)21(17(12-25)23(26)27-24)15-10-18(30-3)22(32-5)19(11-15)31-4/h6-11H,1-5H3,(H2,26,27)
InChIKeyXGJPVJOMGOKRRF-UHFFFAOYSA-N
XLogP4.18
TPSA108.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 6-amino-3-methyl-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 4893324) is 6-amino-3-methyl-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-amino-3-methyl-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-amino-3-methyl-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile is COc1cc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of 6-amino-3-methyl-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is XGJPVJOMGOKRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-13-6-8-16(9-7-13)29-24-20(14(2)28-29)21(17(12-25)23(26)27-24)15-10-18(30-3)22(32-5)19(11-15)31-4/h6-11H,1-5H3,(H2,26,27).
What are the key properties of 6-amino-3-methyl-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile?
6-amino-3-methyl-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 429.48 g/mol, XLogP of 4.18, 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-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 4893324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).