1-(azepan-1-yl)-2-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]ethanone

C24H34N6O2 — CID 35612520

IUPAC1-(azepan-1-yl)-2-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]ethanone
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)c12
InChIInChI=1S/C24H34N6O2/c1-17-22-19(15-20(18-7-8-18)25-23(22)27(2)26-17)24(32)30-13-11-28(12-14-30)16-21(31)29-9-5-3-4-6-10-29/h15,18H,3-14,16H2,1-2H3
InChIKeyADFSNKQJSAJKLZ-UHFFFAOYSA-N
MW438.58 g/mol
LogP2.31
Rot. Bonds4

About 1-(azepan-1-yl)-2-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]ethanone

1-(azepan-1-yl)-2-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]ethanone (PubChem CID 35612520) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]ethanone
PubChem CID35612520
Molecular FormulaC24H34N6O2
Molecular Weight438.58 g/mol
Exact Mass438.27
IUPAC Name1-(azepan-1-yl)-2-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]ethanone
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)c12
InChIInChI=1S/C24H34N6O2/c1-17-22-19(15-20(18-7-8-18)25-23(22)27(2)26-17)24(32)30-13-11-28(12-14-30)16-21(31)29-9-5-3-4-6-10-29/h15,18H,3-14,16H2,1-2H3
InChIKeyADFSNKQJSAJKLZ-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone
CID 39891388
1-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 34840370
[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 60510310
4-[[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile
CID 31862742
2-methylpropyl 4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)-1,4-diazepane-1-carboxylate
CID 60620608
[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 35337435
[1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38492035
piperidin-1-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 16620882
1-[4-(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one
CID 55915693
azepan-1-yl-[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]methanone
CID 44823238
(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78884160
6-cyclopropyl-N-ethoxy-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52555845

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]ethanone (CID 35612520) is 1-(azepan-1-yl)-2-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]ethanone is Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)c12.
What is the InChIKey of 1-(azepan-1-yl)-2-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is ADFSNKQJSAJKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-17-22-19(15-20(18-7-8-18)25-23(22)27(2)26-17)24(32)30-13-11-28(12-14-30)16-21(31)29-9-5-3-4-6-10-29/h15,18H,3-14,16H2,1-2H3.
What are the key properties of 1-(azepan-1-yl)-2-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]ethanone?
1-(azepan-1-yl)-2-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 438.58 g/mol, XLogP of 2.31, 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-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 35612520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).