3-(3-chloro-4-phenoxyphenyl)-1-pyrrolidin-3-ylimidazo[4,5-c]pyridin-2-one

C22H19ClN4O2 — CID 129031960

IUPAC3-(3-chloro-4-phenoxyphenyl)-1-pyrrolidin-3-ylimidazo[4,5-c]pyridin-2-one
SMILESO=c1n(-c2ccc(Oc3ccccc3)c(Cl)c2)c2cnccc2n1C1CCNC1
InChIInChI=1S/C22H19ClN4O2/c23-18-12-15(6-7-21(18)29-17-4-2-1-3-5-17)26-20-14-25-11-9-19(20)27(22(26)28)16-8-10-24-13-16/h1-7,9,11-12,14,16,24H,8,10,13H2
InChIKeyGXPPWKVRWKSXLS-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.17
Rot. Bonds4

About 3-(3-chloro-4-phenoxyphenyl)-1-pyrrolidin-3-ylimidazo[4,5-c]pyridin-2-one

3-(3-chloro-4-phenoxyphenyl)-1-pyrrolidin-3-ylimidazo[4,5-c]pyridin-2-one (PubChem CID 129031960) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 3-(3-chloro-4-phenoxyphenyl)-1-pyrrolidin-3-ylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-(3-chloro-4-phenoxyphenyl)-1-pyrrolidin-3-ylimidazo[4,5-c]pyridin-2-one
PubChem CID129031960
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name3-(3-chloro-4-phenoxyphenyl)-1-pyrrolidin-3-ylimidazo[4,5-c]pyridin-2-one
SMILESO=c1n(-c2ccc(Oc3ccccc3)c(Cl)c2)c2cnccc2n1C1CCNC1
InChIInChI=1S/C22H19ClN4O2/c23-18-12-15(6-7-21(18)29-17-4-2-1-3-5-17)26-20-14-25-11-9-19(20)27(22(26)28)16-8-10-24-13-16/h1-7,9,11-12,14,16,24H,8,10,13H2
InChIKeyGXPPWKVRWKSXLS-UHFFFAOYSA-N
XLogP4.17
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-phenoxyphenyl)-1-pyrrolidin-3-ylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-(3-chloro-4-phenoxyphenyl)-1-pyrrolidin-3-ylimidazo[4,5-c]pyridin-2-one (CID 129031960) is 3-(3-chloro-4-phenoxyphenyl)-1-pyrrolidin-3-ylimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-(3-chloro-4-phenoxyphenyl)-1-pyrrolidin-3-ylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-(3-chloro-4-phenoxyphenyl)-1-pyrrolidin-3-ylimidazo[4,5-c]pyridin-2-one is O=c1n(-c2ccc(Oc3ccccc3)c(Cl)c2)c2cnccc2n1C1CCNC1.
What is the InChIKey of 3-(3-chloro-4-phenoxyphenyl)-1-pyrrolidin-3-ylimidazo[4,5-c]pyridin-2-one?
The InChIKey is GXPPWKVRWKSXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c23-18-12-15(6-7-21(18)29-17-4-2-1-3-5-17)26-20-14-25-11-9-19(20)27(22(26)28)16-8-10-24-13-16/h1-7,9,11-12,14,16,24H,8,10,13H2.
What are the key properties of 3-(3-chloro-4-phenoxyphenyl)-1-pyrrolidin-3-ylimidazo[4,5-c]pyridin-2-one?
3-(3-chloro-4-phenoxyphenyl)-1-pyrrolidin-3-ylimidazo[4,5-c]pyridin-2-one has a molecular weight of 406.87 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-phenoxyphenyl)-1-pyrrolidin-3-ylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 129031960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).