N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-piperazin-1-yl-4-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C27H32N8O2 — CID 77465750

About N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-piperazin-1-yl-4-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-piperazin-1-yl-4-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 77465750) has the molecular formula C27H32N8O2 and a molecular weight of 500.61 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-piperazin-1-yl-4-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-piperazin-1-yl-4-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 77465750
• Molecular Formula: C27H32N8O2
• Molecular Weight: 500.61 g/mol
• Exact Mass: 500.26
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-piperazin-1-yl-4-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC1=CC(C)=NC(=O)C1CNC(=O)c1cc(-c2ccnc(N3CCNCC3)c2)nc2c1cnn2C(C)C
• InChI: InChI=1S/C27H32N8O2/c1-16(2)35-25-22(15-31-35)20(26(36)30-14-21-17(3)11-18(4)32-27(21)37)13-23(33-25)19-5-6-29-24(12-19)34-9-7-28-8-10-34/h5-6,11-13,15-16,21,28H,7-10,14H2,1-4H3,(H,30,36)
• InChIKey: IMIOCPBQDVSRLG-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 117.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.61
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-piperazin-1-yl-4-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-piperazin-1-yl-4-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 77465750) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-piperazin-1-yl-4-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-piperazin-1-yl-4-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-piperazin-1-yl-4-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc(-c2ccnc(N3CCNCC3)c2)nc2c1cnn2C(C)C.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-piperazin-1-yl-4-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is IMIOCPBQDVSRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O2/c1-16(2)35-25-22(15-31-35)20(26(36)30-14-21-17(3)11-18(4)32-27(21)37)13-23(33-25)19-5-6-29-24(12-19)34-9-7-28-8-10-34/h5-6,11-13,15-16,21,28H,7-10,14H2,1-4H3,(H,30,36).

What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-piperazin-1-yl-4-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-piperazin-1-yl-4-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 500.61 g/mol, XLogP of 2.78, 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-oxo-3H-pyridin-3-yl)methyl]-6-(2-piperazin-1-yl-4-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 77465750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).