N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1-(4-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C32H38N8O2 — CID 77465681

About N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1-(4-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxamide

N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1-(4-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 77465681) has the molecular formula C32H38N8O2 and a molecular weight of 566.71 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1-(4-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1-(4-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 77465681
• Molecular Formula: C32H38N8O2
• Molecular Weight: 566.71 g/mol
• Exact Mass: 566.31
• IUPAC Name: N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1-(4-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1ccc(-n2ncc3c(C(=O)NCC4C(=O)NC(C)CC4C)cc(-c4ccc(N5CCN(C)CC5)nc4)nc32)cc1
• InChI: InChI=1S/C32H38N8O2/c1-20-5-8-24(9-6-20)40-30-27(19-35-40)25(31(41)34-18-26-21(2)15-22(3)36-32(26)42)16-28(37-30)23-7-10-29(33-17-23)39-13-11-38(4)12-14-39/h5-10,16-17,19,21-22,26H,11-15,18H2,1-4H3,(H,34,41)(H,36,42)
• InChIKey: JJWKMWYUSQFIST-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 108.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.71
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1-(4-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1-(4-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 77465681) is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1-(4-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1-(4-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1-(4-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(-n2ncc3c(C(=O)NCC4C(=O)NC(C)CC4C)cc(-c4ccc(N5CCN(C)CC5)nc4)nc32)cc1.

What is the InChIKey of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1-(4-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is JJWKMWYUSQFIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N8O2/c1-20-5-8-24(9-6-20)40-30-27(19-35-40)25(31(41)34-18-26-21(2)15-22(3)36-32(26)42)16-28(37-30)23-7-10-29(33-17-23)39-13-11-38(4)12-14-39/h5-10,16-17,19,21-22,26H,11-15,18H2,1-4H3,(H,34,41)(H,36,42).

What are the key properties of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1-(4-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxamide?

N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1-(4-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 566.71 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1-(4-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 77465681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).