1-[1-[2-[5-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

C27H27F2N5O4 — CID 59825893

About 1-[1-[2-[5-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

1-[1-[2-[5-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 59825893) has the molecular formula C27H27F2N5O4 and a molecular weight of 523.54 g/mol. Its IUPAC name is 1-[1-[2-[5-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 1-[1-[2-[5-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
• PubChem CID: 59825893
• Molecular Formula: C27H27F2N5O4
• Molecular Weight: 523.54 g/mol
• Exact Mass: 523.20
• IUPAC Name: 1-[1-[2-[5-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
• SMILES: COCCn1cc(-c2cccc(F)c2F)cc(CC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O
• InChI: InChI=1S/C27H27F2N5O4/c1-38-13-12-33-16-18(20-4-2-5-21(28)24(20)29)14-17(26(33)36)15-23(35)32-10-7-19(8-11-32)34-22-6-3-9-30-25(22)31-27(34)37/h2-6,9,14,16,19H,7-8,10-13,15H2,1H3,(H,30,31,37)
• InChIKey: KGWPPLMDPUQGII-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 102.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.54
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[5-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?

The IUPAC name of 1-[1-[2-[5-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 59825893) is 1-[1-[2-[5-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

What is the SMILES notation for 1-[1-[2-[5-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?

The canonical SMILES for 1-[1-[2-[5-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is COCCn1cc(-c2cccc(F)c2F)cc(CC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O.

What is the InChIKey of 1-[1-[2-[5-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?

The InChIKey is KGWPPLMDPUQGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N5O4/c1-38-13-12-33-16-18(20-4-2-5-21(28)24(20)29)14-17(26(33)36)15-23(35)32-10-7-19(8-11-32)34-22-6-3-9-30-25(22)31-27(34)37/h2-6,9,14,16,19H,7-8,10-13,15H2,1H3,(H,30,31,37).

What are the key properties of 1-[1-[2-[5-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?

1-[1-[2-[5-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 523.54 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2-[5-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 59825893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).