6-bromo-1-[(4-methoxycyclohexyl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one

C20H22BrN3O2 — CID 67077691

IUPAC6-bromo-1-[(4-methoxycyclohexyl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one
SMILESCOC1CCC(Cn2c(=O)n(-c3ccccc3)c3ncc(Br)cc32)CC1
InChIInChI=1S/C20H22BrN3O2/c1-26-17-9-7-14(8-10-17)13-23-18-11-15(21)12-22-19(18)24(20(23)25)16-5-3-2-4-6-16/h2-6,11-12,14,17H,7-10,13H2,1H3
InChIKeyKNFATDWKPCKWHN-UHFFFAOYSA-N
MW416.32 g/mol
LogP4.15
Rot. Bonds4

About 6-bromo-1-[(4-methoxycyclohexyl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one

6-bromo-1-[(4-methoxycyclohexyl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one (PubChem CID 67077691) has the molecular formula C20H22BrN3O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is 6-bromo-1-[(4-methoxycyclohexyl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-bromo-1-[(4-methoxycyclohexyl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one
PubChem CID67077691
Molecular FormulaC20H22BrN3O2
Molecular Weight416.32 g/mol
Exact Mass415.09
IUPAC Name6-bromo-1-[(4-methoxycyclohexyl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one
SMILESCOC1CCC(Cn2c(=O)n(-c3ccccc3)c3ncc(Br)cc32)CC1
InChIInChI=1S/C20H22BrN3O2/c1-26-17-9-7-14(8-10-17)13-23-18-11-15(21)12-22-19(18)24(20(23)25)16-5-3-2-4-6-16/h2-6,11-12,14,17H,7-10,13H2,1H3
InChIKeyKNFATDWKPCKWHN-UHFFFAOYSA-N
XLogP4.15
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(4-methoxycyclohexyl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-bromo-1-[(4-methoxycyclohexyl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one (CID 67077691) is 6-bromo-1-[(4-methoxycyclohexyl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-bromo-1-[(4-methoxycyclohexyl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-bromo-1-[(4-methoxycyclohexyl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one is COC1CCC(Cn2c(=O)n(-c3ccccc3)c3ncc(Br)cc32)CC1.
What is the InChIKey of 6-bromo-1-[(4-methoxycyclohexyl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one?
The InChIKey is KNFATDWKPCKWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O2/c1-26-17-9-7-14(8-10-17)13-23-18-11-15(21)12-22-19(18)24(20(23)25)16-5-3-2-4-6-16/h2-6,11-12,14,17H,7-10,13H2,1H3.
What are the key properties of 6-bromo-1-[(4-methoxycyclohexyl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one?
6-bromo-1-[(4-methoxycyclohexyl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one has a molecular weight of 416.32 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(4-methoxycyclohexyl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 67077691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).