1-[1-[6-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

C25H25N7O3 — CID 58386431

About 1-[1-[6-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

1-[1-[6-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 58386431) has the molecular formula C25H25N7O3 and a molecular weight of 471.52 g/mol. Its IUPAC name is 1-[1-[6-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 1-[1-[6-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
• PubChem CID: 58386431
• Molecular Formula: C25H25N7O3
• Molecular Weight: 471.52 g/mol
• Exact Mass: 471.20
• IUPAC Name: 1-[1-[6-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
• SMILES: COc1ccc2c(c1)CCN2C(=O)c1cc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)ncn1
• InChI: InChI=1S/C25H25N7O3/c1-35-18-4-5-20-16(13-18)6-12-31(20)24(33)19-14-22(28-15-27-19)30-10-7-17(8-11-30)32-21-3-2-9-26-23(21)29-25(32)34/h2-5,9,13-15,17H,6-8,10-12H2,1H3,(H,26,29,34)
• InChIKey: ULKBMAJYXSQXIJ-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 109.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.52
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?

The IUPAC name of 1-[1-[6-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 58386431) is 1-[1-[6-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

What is the SMILES notation for 1-[1-[6-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?

The canonical SMILES for 1-[1-[6-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is COc1ccc2c(c1)CCN2C(=O)c1cc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)ncn1.

What is the InChIKey of 1-[1-[6-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?

The InChIKey is ULKBMAJYXSQXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O3/c1-35-18-4-5-20-16(13-18)6-12-31(20)24(33)19-14-22(28-15-27-19)30-10-7-17(8-11-30)32-21-3-2-9-26-23(21)29-25(32)34/h2-5,9,13-15,17H,6-8,10-12H2,1H3,(H,26,29,34).

What are the key properties of 1-[1-[6-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?

1-[1-[6-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 471.52 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[6-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 58386431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).