1-benzyl-N-cyclopentyl-N-(furan-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C24H24N4O2 — CID 78853204

IUPAC1-benzyl-N-cyclopentyl-N-(furan-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(c1cnc2c(cnn2Cc2ccccc2)c1)N(Cc1ccco1)C1CCCC1
InChIInChI=1S/C24H24N4O2/c29-24(27(21-9-4-5-10-21)17-22-11-6-12-30-22)20-13-19-15-26-28(23(19)25-14-20)16-18-7-2-1-3-8-18/h1-3,6-8,11-15,21H,4-5,9-10,16-17H2
InChIKeyXAEATEYFVNPJIL-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.66
Rot. Bonds6

About 1-benzyl-N-cyclopentyl-N-(furan-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

1-benzyl-N-cyclopentyl-N-(furan-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 78853204) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-benzyl-N-cyclopentyl-N-(furan-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-cyclopentyl-N-(furan-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID78853204
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-benzyl-N-cyclopentyl-N-(furan-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(c1cnc2c(cnn2Cc2ccccc2)c1)N(Cc1ccco1)C1CCCC1
InChIInChI=1S/C24H24N4O2/c29-24(27(21-9-4-5-10-21)17-22-11-6-12-30-22)20-13-19-15-26-28(23(19)25-14-20)16-18-7-2-1-3-8-18/h1-3,6-8,11-15,21H,4-5,9-10,16-17H2
InChIKeyXAEATEYFVNPJIL-UHFFFAOYSA-N
XLogP4.66
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N,N-dipropylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 78839414
N-cyclopentyl-N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63860432
1-benzyl-N-methoxy-N-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24688178
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
6-chloro-N-cyclopentyl-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 103337342
1-benzyl-N-(2-cyclopentylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 75453155
N-cyclopentyl-N-(furan-2-ylmethyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 78883208
N-cyclopentyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 60737869
N-cyclopentyl-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide
CID 78991820
N-cyclopentyl-N-(furan-2-ylmethyl)-1H-indole-6-carboxamide
CID 56797541
N-cyclopropyl-N-(furan-2-ylmethyl)-1H-indazole-6-carboxamide
CID 62905612
3-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369452

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-cyclopentyl-N-(furan-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-benzyl-N-cyclopentyl-N-(furan-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 78853204) is 1-benzyl-N-cyclopentyl-N-(furan-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-cyclopentyl-N-(furan-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-benzyl-N-cyclopentyl-N-(furan-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide is O=C(c1cnc2c(cnn2Cc2ccccc2)c1)N(Cc1ccco1)C1CCCC1.
What is the InChIKey of 1-benzyl-N-cyclopentyl-N-(furan-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is XAEATEYFVNPJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c29-24(27(21-9-4-5-10-21)17-22-11-6-12-30-22)20-13-19-15-26-28(23(19)25-14-20)16-18-7-2-1-3-8-18/h1-3,6-8,11-15,21H,4-5,9-10,16-17H2.
What are the key properties of 1-benzyl-N-cyclopentyl-N-(furan-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
1-benzyl-N-cyclopentyl-N-(furan-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-cyclopentyl-N-(furan-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 78853204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).