N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-ethyl-1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C29H40N6O2 — CID 77464493

About N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-ethyl-1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-ethyl-1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 77464493) has the molecular formula C29H40N6O2 and a molecular weight of 504.68 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-ethyl-1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-ethyl-1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 77464493
• Molecular Formula: C29H40N6O2
• Molecular Weight: 504.68 g/mol
• Exact Mass: 504.32
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-ethyl-1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CCc1nn(C(C)C)c2nc(C3=CC(C)(C)NC(C)(C)C3)cc(C(=O)NCC3C(=O)N=C(C)C=C3C)c12
• InChI: InChI=1S/C29H40N6O2/c1-10-22-24-20(26(36)30-15-21-17(4)11-18(5)31-27(21)37)12-23(32-25(24)35(33-22)16(2)3)19-13-28(6,7)34-29(8,9)14-19/h11-13,16,21,34H,10,14-15H2,1-9H3,(H,30,36)
• InChIKey: HXUOFTPQCIMNDK-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 101.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.68
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-ethyl-1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 77464493) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-ethyl-1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-ethyl-1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is CCc1nn(C(C)C)c2nc(C3=CC(C)(C)NC(C)(C)C3)cc(C(=O)NCC3C(=O)N=C(C)C=C3C)c12.

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

The InChIKey is HXUOFTPQCIMNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N6O2/c1-10-22-24-20(26(36)30-15-21-17(4)11-18(5)31-27(21)37)12-23(32-25(24)35(33-22)16(2)3)19-13-28(6,7)34-29(8,9)14-19/h11-13,16,21,34H,10,14-15H2,1-9H3,(H,30,36).

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

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-ethyl-1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 504.68 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-ethyl-1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 77464493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).