1-benzyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C21H17N7O — CID 31307796

IUPAC1-benzyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(NCc1nnc2ccccn12)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C21H17N7O/c29-21(23-13-19-26-25-18-8-4-5-9-27(18)19)17-10-16-12-24-28(20(16)22-11-17)14-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,23,29)
InChIKeyPATYXAXSKQCENP-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.45
Rot. Bonds5

About 1-benzyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

1-benzyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 31307796) has the molecular formula C21H17N7O and a molecular weight of 383.42 g/mol. Its IUPAC name is 1-benzyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID31307796
Molecular FormulaC21H17N7O
Molecular Weight383.42 g/mol
Exact Mass383.15
IUPAC Name1-benzyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(NCc1nnc2ccccn12)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C21H17N7O/c29-21(23-13-19-26-25-18-8-4-5-9-27(18)19)17-10-16-12-24-28(20(16)22-11-17)14-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,23,29)
InChIKeyPATYXAXSKQCENP-UHFFFAOYSA-N
XLogP2.45
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-benzyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 43042463
6-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 9021014
1,3-dimethyl-2,4-dioxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 43044016
1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 78856623
6-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 30289705
1-benzyl-N-(1-hydroxybutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 110886300
1-benzyl-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24668547
1-benzyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24640473
1-benzyl-N-(4,5-dichloro-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 75468059
1-benzyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 32607487
1-benzyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24624200

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-benzyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 31307796) is 1-benzyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-benzyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide is O=C(NCc1nnc2ccccn12)c1cnc2c(cnn2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is PATYXAXSKQCENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7O/c29-21(23-13-19-26-25-18-8-4-5-9-27(18)19)17-10-16-12-24-28(20(16)22-11-17)14-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,23,29).
What are the key properties of 1-benzyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
1-benzyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 31307796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).