1-[1-[2-[5-(3-chloro-5-pyrimidin-5-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

C25H21ClN8O3 — CID 25153409

About 1-[1-[2-[5-(3-chloro-5-pyrimidin-5-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

1-[1-[2-[5-(3-chloro-5-pyrimidin-5-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 25153409) has the molecular formula C25H21ClN8O3 and a molecular weight of 516.95 g/mol. Its IUPAC name is 1-[1-[2-[5-(3-chloro-5-pyrimidin-5-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 1-[1-[2-[5-(3-chloro-5-pyrimidin-5-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
• PubChem CID: 25153409
• Molecular Formula: C25H21ClN8O3
• Molecular Weight: 516.95 g/mol
• Exact Mass: 516.14
• IUPAC Name: 1-[1-[2-[5-(3-chloro-5-pyrimidin-5-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
• SMILES: O=C(Cc1nnc(-c2cc(Cl)cc(-c3cncnc3)c2)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
• InChI: InChI=1S/C25H21ClN8O3/c26-18-9-15(17-12-27-14-28-13-17)8-16(10-18)24-32-31-21(37-24)11-22(35)33-6-3-19(4-7-33)34-20-2-1-5-29-23(20)30-25(34)36/h1-2,5,8-10,12-14,19H,3-4,6-7,11H2,(H,29,30,36)
• InChIKey: YNRWFQMCWDNYPB-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 135.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.95
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[5-(3-chloro-5-pyrimidin-5-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?

The IUPAC name of 1-[1-[2-[5-(3-chloro-5-pyrimidin-5-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 25153409) is 1-[1-[2-[5-(3-chloro-5-pyrimidin-5-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

What is the SMILES notation for 1-[1-[2-[5-(3-chloro-5-pyrimidin-5-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?

The canonical SMILES for 1-[1-[2-[5-(3-chloro-5-pyrimidin-5-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is O=C(Cc1nnc(-c2cc(Cl)cc(-c3cncnc3)c2)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.

What is the InChIKey of 1-[1-[2-[5-(3-chloro-5-pyrimidin-5-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?

The InChIKey is YNRWFQMCWDNYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN8O3/c26-18-9-15(17-12-27-14-28-13-17)8-16(10-18)24-32-31-21(37-24)11-22(35)33-6-3-19(4-7-33)34-20-2-1-5-29-23(20)30-25(34)36/h1-2,5,8-10,12-14,19H,3-4,6-7,11H2,(H,29,30,36).

What are the key properties of 1-[1-[2-[5-(3-chloro-5-pyrimidin-5-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?

1-[1-[2-[5-(3-chloro-5-pyrimidin-5-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 516.95 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2-[5-(3-chloro-5-pyrimidin-5-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 25153409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).