1-[1-[2-(2-methoxy-5-phenylphenyl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

C26H26N4O3 — CID 46232527

IUPAC1-[1-[2-(2-methoxy-5-phenylphenyl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCOc1ccc(-c2ccccc2)cc1CC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIInChI=1S/C26H26N4O3/c1-33-23-10-9-19(18-6-3-2-4-7-18)16-20(23)17-24(31)29-14-11-21(12-15-29)30-22-8-5-13-27-25(22)28-26(30)32/h2-10,13,16,21H,11-12,14-15,17H2,1H3,(H,27,28,32)
InChIKeyQYCUSUSETGZGED-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.81
Rot. Bonds5

About 1-[1-[2-(2-methoxy-5-phenylphenyl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

1-[1-[2-(2-methoxy-5-phenylphenyl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 46232527) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 1-[1-[2-(2-methoxy-5-phenylphenyl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[1-[2-(2-methoxy-5-phenylphenyl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID46232527
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name1-[1-[2-(2-methoxy-5-phenylphenyl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCOc1ccc(-c2ccccc2)cc1CC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIInChI=1S/C26H26N4O3/c1-33-23-10-9-19(18-6-3-2-4-7-18)16-20(23)17-24(31)29-14-11-21(12-15-29)30-22-8-5-13-27-25(22)28-26(30)32/h2-10,13,16,21H,11-12,14-15,17H2,1H3,(H,27,28,32)
InChIKeyQYCUSUSETGZGED-UHFFFAOYSA-N
XLogP3.81
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-methoxy-5-phenylphenyl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[1-[2-(2-methoxy-5-phenylphenyl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 46232527) is 1-[1-[2-(2-methoxy-5-phenylphenyl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[1-[2-(2-methoxy-5-phenylphenyl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[1-[2-(2-methoxy-5-phenylphenyl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is COc1ccc(-c2ccccc2)cc1CC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.
What is the InChIKey of 1-[1-[2-(2-methoxy-5-phenylphenyl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is QYCUSUSETGZGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-33-23-10-9-19(18-6-3-2-4-7-18)16-20(23)17-24(31)29-14-11-21(12-15-29)30-22-8-5-13-27-25(22)28-26(30)32/h2-10,13,16,21H,11-12,14-15,17H2,1H3,(H,27,28,32).
What are the key properties of 1-[1-[2-(2-methoxy-5-phenylphenyl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
1-[1-[2-(2-methoxy-5-phenylphenyl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 442.52 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-methoxy-5-phenylphenyl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 46232527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).