1-(azepan-1-yl)-2-[4-(1-cyclopentylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]ethanone

C24H34N6O2 — CID 56829217

IUPAC1-(azepan-1-yl)-2-[4-(1-cyclopentylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)c2cnc3c(cnn3C3CCCC3)c2)CC1)N1CCCCCC1
InChIInChI=1S/C24H34N6O2/c31-22(28-9-5-1-2-6-10-28)18-27-11-13-29(14-12-27)24(32)20-15-19-17-26-30(23(19)25-16-20)21-7-3-4-8-21/h15-17,21H,1-14,18H2
InChIKeyLEXUCHBADFFQJM-UHFFFAOYSA-N
MW438.58 g/mol
LogP2.71
Rot. Bonds4

About 1-(azepan-1-yl)-2-[4-(1-cyclopentylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]ethanone

1-(azepan-1-yl)-2-[4-(1-cyclopentylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]ethanone (PubChem CID 56829217) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[4-(1-cyclopentylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[4-(1-cyclopentylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]ethanone
PubChem CID56829217
Molecular FormulaC24H34N6O2
Molecular Weight438.58 g/mol
Exact Mass438.27
IUPAC Name1-(azepan-1-yl)-2-[4-(1-cyclopentylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)c2cnc3c(cnn3C3CCCC3)c2)CC1)N1CCCCCC1
InChIInChI=1S/C24H34N6O2/c31-22(28-9-5-1-2-6-10-28)18-27-11-13-29(14-12-27)24(32)20-15-19-17-26-30(23(19)25-16-20)21-7-3-4-8-21/h15-17,21H,1-14,18H2
InChIKeyLEXUCHBADFFQJM-UHFFFAOYSA-N
XLogP2.71
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(azepan-1-yl)-2-[4-(1-cyclopentylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

(1-cyclopentylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 71880992
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 58826231
2-[4-[4-(azepane-1-carbonyl)phenyl]piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442566
[1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone
CID 166191038
N-(5-chloro-2-pyridinyl)-1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 51101378
4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzamide
CID 32693348
2-[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]pyridine-3-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 58886146
1-(azepan-1-yl)-2-[4-(1-propan-2-ylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 137340124
[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270710
2-[4-(3-bromobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440312
1-(azepan-1-yl)-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone
CID 17401505
2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 51255754

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[4-(1-cyclopentylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[4-(1-cyclopentylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]ethanone (CID 56829217) is 1-(azepan-1-yl)-2-[4-(1-cyclopentylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[4-(1-cyclopentylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[4-(1-cyclopentylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]ethanone is O=C(CN1CCN(C(=O)c2cnc3c(cnn3C3CCCC3)c2)CC1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[4-(1-cyclopentylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is LEXUCHBADFFQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2/c31-22(28-9-5-1-2-6-10-28)18-27-11-13-29(14-12-27)24(32)20-15-19-17-26-30(23(19)25-16-20)21-7-3-4-8-21/h15-17,21H,1-14,18H2.
What are the key properties of 1-(azepan-1-yl)-2-[4-(1-cyclopentylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]ethanone?
1-(azepan-1-yl)-2-[4-(1-cyclopentylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 438.58 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[4-(1-cyclopentylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 56829217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).