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

C28H35N7O3 — CID 123733943

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

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(2-morpholin-4-yl-3,4-dihydropyridin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 123733943) has the molecular formula C28H35N7O3 and a molecular weight of 517.63 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(2-morpholin-4-yl-3,4-dihydropyridin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(2-morpholin-4-yl-3,4-dihydropyridin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 123733943
• Molecular Formula: C28H35N7O3
• Molecular Weight: 517.63 g/mol
• Exact Mass: 517.28
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(2-morpholin-4-yl-3,4-dihydropyridin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1cc(C)c(CNC(=O)c2cc(C3=CN=C(N4CCOCC4)CC3)nc3c2c(C)nn3C(C)C)c(=O)[nH]1
• InChI: InChI=1S/C28H35N7O3/c1-16(2)35-26-25(19(5)33-35)21(27(36)30-15-22-17(3)12-18(4)31-28(22)37)13-23(32-26)20-6-7-24(29-14-20)34-8-10-38-11-9-34/h12-14,16H,6-11,15H2,1-5H3,(H,30,36)(H,31,37)
• InChIKey: SLWKYRDWCVKLRD-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 117.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.63
LogP ≤ 5	3.42
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-1H-pyridin-3-yl)methyl]-3-methyl-6-(2-morpholin-4-yl-3,4-dihydropyridin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(2-morpholin-4-yl-3,4-dihydropyridin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 123733943) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(2-morpholin-4-yl-3,4-dihydropyridin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(2-morpholin-4-yl-3,4-dihydropyridin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(C3=CN=C(N4CCOCC4)CC3)nc3c2c(C)nn3C(C)C)c(=O)[nH]1.

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

The InChIKey is SLWKYRDWCVKLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O3/c1-16(2)35-26-25(19(5)33-35)21(27(36)30-15-22-17(3)12-18(4)31-28(22)37)13-23(32-26)20-6-7-24(29-14-20)34-8-10-38-11-9-34/h12-14,16H,6-11,15H2,1-5H3,(H,30,36)(H,31,37).

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

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(2-morpholin-4-yl-3,4-dihydropyridin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 517.63 g/mol, XLogP of 3.42, 5 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-1H-pyridin-3-yl)methyl]-3-methyl-6-(2-morpholin-4-yl-3,4-dihydropyridin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 123733943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).