1,3-dicyclopentyl-6-(4-methoxy-2-methylanilino)imidazo[4,5-c]pyridin-2-one

C24H30N4O2 — CID 163220211

IUPAC1,3-dicyclopentyl-6-(4-methoxy-2-methylanilino)imidazo[4,5-c]pyridin-2-one
SMILESCOc1ccc(Nc2cc3c(cn2)n(C2CCCC2)c(=O)n3C2CCCC2)c(C)c1
InChIInChI=1S/C24H30N4O2/c1-16-13-19(30-2)11-12-20(16)26-23-14-21-22(15-25-23)28(18-9-5-6-10-18)24(29)27(21)17-7-3-4-8-17/h11-15,17-18H,3-10H2,1-2H3,(H,25,26)
InChIKeyRIINOZOVUUXHFK-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.49
Rot. Bonds5

About 1,3-dicyclopentyl-6-(4-methoxy-2-methylanilino)imidazo[4,5-c]pyridin-2-one

1,3-dicyclopentyl-6-(4-methoxy-2-methylanilino)imidazo[4,5-c]pyridin-2-one (PubChem CID 163220211) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1,3-dicyclopentyl-6-(4-methoxy-2-methylanilino)imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1,3-dicyclopentyl-6-(4-methoxy-2-methylanilino)imidazo[4,5-c]pyridin-2-one
PubChem CID163220211
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name1,3-dicyclopentyl-6-(4-methoxy-2-methylanilino)imidazo[4,5-c]pyridin-2-one
SMILESCOc1ccc(Nc2cc3c(cn2)n(C2CCCC2)c(=O)n3C2CCCC2)c(C)c1
InChIInChI=1S/C24H30N4O2/c1-16-13-19(30-2)11-12-20(16)26-23-14-21-22(15-25-23)28(18-9-5-6-10-18)24(29)27(21)17-7-3-4-8-17/h11-15,17-18H,3-10H2,1-2H3,(H,25,26)
InChIKeyRIINOZOVUUXHFK-UHFFFAOYSA-N
XLogP5.49
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclopentyl-6-(4-methoxy-2-methylanilino)imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1,3-dicyclopentyl-6-(4-methoxy-2-methylanilino)imidazo[4,5-c]pyridin-2-one (CID 163220211) is 1,3-dicyclopentyl-6-(4-methoxy-2-methylanilino)imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1,3-dicyclopentyl-6-(4-methoxy-2-methylanilino)imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1,3-dicyclopentyl-6-(4-methoxy-2-methylanilino)imidazo[4,5-c]pyridin-2-one is COc1ccc(Nc2cc3c(cn2)n(C2CCCC2)c(=O)n3C2CCCC2)c(C)c1.
What is the InChIKey of 1,3-dicyclopentyl-6-(4-methoxy-2-methylanilino)imidazo[4,5-c]pyridin-2-one?
The InChIKey is RIINOZOVUUXHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-16-13-19(30-2)11-12-20(16)26-23-14-21-22(15-25-23)28(18-9-5-6-10-18)24(29)27(21)17-7-3-4-8-17/h11-15,17-18H,3-10H2,1-2H3,(H,25,26).
What are the key properties of 1,3-dicyclopentyl-6-(4-methoxy-2-methylanilino)imidazo[4,5-c]pyridin-2-one?
1,3-dicyclopentyl-6-(4-methoxy-2-methylanilino)imidazo[4,5-c]pyridin-2-one has a molecular weight of 406.53 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclopentyl-6-(4-methoxy-2-methylanilino)imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 163220211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).