3-[4-(3-chloro-2-methoxyphenoxy)phenyl]-1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one

C24H23ClN4O3 — CID 167131442

IUPAC3-[4-(3-chloro-2-methoxyphenoxy)phenyl]-1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one
SMILESCOc1c(Cl)cccc1Oc1ccc(-n2c(=O)n(C3CCN(C)C3)c3ccncc32)cc1
InChIInChI=1S/C24H23ClN4O3/c1-27-13-11-17(15-27)29-20-10-12-26-14-21(20)28(24(29)30)16-6-8-18(9-7-16)32-22-5-3-4-19(25)23(22)31-2/h3-10,12,14,17H,11,13,15H2,1-2H3
InChIKeyDHHDZTYWHKJBHB-UHFFFAOYSA-N
MW450.93 g/mol
LogP4.52
Rot. Bonds5

About 3-[4-(3-chloro-2-methoxyphenoxy)phenyl]-1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one

3-[4-(3-chloro-2-methoxyphenoxy)phenyl]-1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one (PubChem CID 167131442) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is 3-[4-(3-chloro-2-methoxyphenoxy)phenyl]-1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[4-(3-chloro-2-methoxyphenoxy)phenyl]-1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one
PubChem CID167131442
Molecular FormulaC24H23ClN4O3
Molecular Weight450.93 g/mol
Exact Mass450.15
IUPAC Name3-[4-(3-chloro-2-methoxyphenoxy)phenyl]-1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one
SMILESCOc1c(Cl)cccc1Oc1ccc(-n2c(=O)n(C3CCN(C)C3)c3ccncc32)cc1
InChIInChI=1S/C24H23ClN4O3/c1-27-13-11-17(15-27)29-20-10-12-26-14-21(20)28(24(29)30)16-6-8-18(9-7-16)32-22-5-3-4-19(25)23(22)31-2/h3-10,12,14,17H,11,13,15H2,1-2H3
InChIKeyDHHDZTYWHKJBHB-UHFFFAOYSA-N
XLogP4.52
TPSA61.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chloro-2-methoxyphenoxy)phenyl]-1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[4-(3-chloro-2-methoxyphenoxy)phenyl]-1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one (CID 167131442) is 3-[4-(3-chloro-2-methoxyphenoxy)phenyl]-1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-[4-(3-chloro-2-methoxyphenoxy)phenyl]-1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[4-(3-chloro-2-methoxyphenoxy)phenyl]-1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one is COc1c(Cl)cccc1Oc1ccc(-n2c(=O)n(C3CCN(C)C3)c3ccncc32)cc1.
What is the InChIKey of 3-[4-(3-chloro-2-methoxyphenoxy)phenyl]-1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one?
The InChIKey is DHHDZTYWHKJBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3/c1-27-13-11-17(15-27)29-20-10-12-26-14-21(20)28(24(29)30)16-6-8-18(9-7-16)32-22-5-3-4-19(25)23(22)31-2/h3-10,12,14,17H,11,13,15H2,1-2H3.
What are the key properties of 3-[4-(3-chloro-2-methoxyphenoxy)phenyl]-1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one?
3-[4-(3-chloro-2-methoxyphenoxy)phenyl]-1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one has a molecular weight of 450.93 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chloro-2-methoxyphenoxy)phenyl]-1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 167131442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).