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

C18H26N4O2 — CID 145484781

IUPAC3-(1-cyclohexylpiperidin-4-yl)-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one
SMILESCOc1ccc2[nH]c(=O)n(C3CCN(C4CCCCC4)CC3)c2n1
InChIInChI=1S/C18H26N4O2/c1-24-16-8-7-15-17(20-16)22(18(23)19-15)14-9-11-21(12-10-14)13-5-3-2-4-6-13/h7-8,13-14H,2-6,9-12H2,1H3,(H,19,23)
InChIKeyDBYVJBRUDSQLHF-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.70
Rot. Bonds3

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

3-(1-cyclohexylpiperidin-4-yl)-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 145484781) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-(1-cyclohexylpiperidin-4-yl)-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-(1-cyclohexylpiperidin-4-yl)-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID145484781
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name3-(1-cyclohexylpiperidin-4-yl)-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one
SMILESCOc1ccc2[nH]c(=O)n(C3CCN(C4CCCCC4)CC3)c2n1
InChIInChI=1S/C18H26N4O2/c1-24-16-8-7-15-17(20-16)22(18(23)19-15)14-9-11-21(12-10-14)13-5-3-2-4-6-13/h7-8,13-14H,2-6,9-12H2,1H3,(H,19,23)
InChIKeyDBYVJBRUDSQLHF-UHFFFAOYSA-N
XLogP2.70
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylpiperidin-4-yl)-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-(1-cyclohexylpiperidin-4-yl)-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one (CID 145484781) is 3-(1-cyclohexylpiperidin-4-yl)-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-(1-cyclohexylpiperidin-4-yl)-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-(1-cyclohexylpiperidin-4-yl)-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one is COc1ccc2[nH]c(=O)n(C3CCN(C4CCCCC4)CC3)c2n1.
What is the InChIKey of 3-(1-cyclohexylpiperidin-4-yl)-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is DBYVJBRUDSQLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-24-16-8-7-15-17(20-16)22(18(23)19-15)14-9-11-21(12-10-14)13-5-3-2-4-6-13/h7-8,13-14H,2-6,9-12H2,1H3,(H,19,23).
What are the key properties of 3-(1-cyclohexylpiperidin-4-yl)-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one?
3-(1-cyclohexylpiperidin-4-yl)-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 330.43 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylpiperidin-4-yl)-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 145484781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).