6-(azepan-1-yl)-N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide

C21H32N6O — CID 52913951

IUPAC6-(azepan-1-yl)-N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCCN1CCC(NC(=O)c2nn(C)c3nc(N4CCCCCC4)ccc23)CC1
InChIInChI=1S/C21H32N6O/c1-3-26-14-10-16(11-15-26)22-21(28)19-17-8-9-18(23-20(17)25(2)24-19)27-12-6-4-5-7-13-27/h8-9,16H,3-7,10-15H2,1-2H3,(H,22,28)
InChIKeyJXSLDYCYPGAFQU-UHFFFAOYSA-N
MW384.53 g/mol
LogP2.56
Rot. Bonds4

About 6-(azepan-1-yl)-N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide

6-(azepan-1-yl)-N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 52913951) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide
PubChem CID52913951
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC Name6-(azepan-1-yl)-N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCCN1CCC(NC(=O)c2nn(C)c3nc(N4CCCCCC4)ccc23)CC1
InChIInChI=1S/C21H32N6O/c1-3-26-14-10-16(11-15-26)22-21(28)19-17-8-9-18(23-20(17)25(2)24-19)27-12-6-4-5-7-13-27/h8-9,16H,3-7,10-15H2,1-2H3,(H,22,28)
InChIKeyJXSLDYCYPGAFQU-UHFFFAOYSA-N
XLogP2.56
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of 6-(azepan-1-yl)-N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide (CID 52913951) is 6-(azepan-1-yl)-N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)-N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)-N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide is CCN1CCC(NC(=O)c2nn(C)c3nc(N4CCCCCC4)ccc23)CC1.
What is the InChIKey of 6-(azepan-1-yl)-N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is JXSLDYCYPGAFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O/c1-3-26-14-10-16(11-15-26)22-21(28)19-17-8-9-18(23-20(17)25(2)24-19)27-12-6-4-5-7-13-27/h8-9,16H,3-7,10-15H2,1-2H3,(H,22,28).
What are the key properties of 6-(azepan-1-yl)-N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide?
6-(azepan-1-yl)-N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 384.53 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 52913951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).