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

C21H19N5O — CID 31399390

IUPAC1-benzyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(NCCc1cccnc1)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C21H19N5O/c27-21(23-10-8-16-7-4-9-22-12-16)19-11-18-14-25-26(20(18)24-13-19)15-17-5-2-1-3-6-17/h1-7,9,11-14H,8,10,15H2,(H,23,27)
InChIKeyGAUBNBMJLINWDR-UHFFFAOYSA-N
MW357.42 g/mol
LogP2.85
Rot. Bonds6

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

1-benzyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 31399390) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 1-benzyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID31399390
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name1-benzyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(NCCc1cccnc1)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C21H19N5O/c27-21(23-10-8-16-7-4-9-22-12-16)19-11-18-14-25-26(20(18)24-13-19)15-17-5-2-1-3-6-17/h1-7,9,11-14H,8,10,15H2,(H,23,27)
InChIKeyGAUBNBMJLINWDR-UHFFFAOYSA-N
XLogP2.85
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-N-(2-pyridin-3-ylethyl)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

1-benzyl-N-(2-ethoxyethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 87020146
1-benzyl-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24668547
1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 43042463
1-benzyl-N,N-dipropylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 78839414
1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 78856623
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-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 31307796
1-benzyl-N-(1-hydroxybutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 110886300
1-benzyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24624200
1-benzyl-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 30531698

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-benzyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 31399390) is 1-benzyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide is O=C(NCCc1cccnc1)c1cnc2c(cnn2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is GAUBNBMJLINWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c27-21(23-10-8-16-7-4-9-22-12-16)19-11-18-14-25-26(20(18)24-13-19)15-17-5-2-1-3-6-17/h1-7,9,11-14H,8,10,15H2,(H,23,27).
What are the key properties of 1-benzyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
1-benzyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 31399390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).