2-(3-chlorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone

C21H23ClN4O — CID 83272934

IUPAC2-(3-chlorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
SMILESCC(C)n1c(C2CCN(C(=O)Cc3cccc(Cl)c3)C2)nc2ccncc21
InChIInChI=1S/C21H23ClN4O/c1-14(2)26-19-12-23-8-6-18(19)24-21(26)16-7-9-25(13-16)20(27)11-15-4-3-5-17(22)10-15/h3-6,8,10,12,14,16H,7,9,11,13H2,1-2H3
InChIKeyMQAKZIYCUXNAKU-UHFFFAOYSA-N
MW382.90 g/mol
LogP4.22
Rot. Bonds4

About 2-(3-chlorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone

2-(3-chlorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 83272934) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID83272934
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC Name2-(3-chlorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
SMILESCC(C)n1c(C2CCN(C(=O)Cc3cccc(Cl)c3)C2)nc2ccncc21
InChIInChI=1S/C21H23ClN4O/c1-14(2)26-19-12-23-8-6-18(19)24-21(26)16-7-9-25(13-16)20(27)11-15-4-3-5-17(22)10-15/h3-6,8,10,12,14,16H,7,9,11,13H2,1-2H3
InChIKeyMQAKZIYCUXNAKU-UHFFFAOYSA-N
XLogP4.22
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone (CID 83272934) is 2-(3-chlorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone is CC(C)n1c(C2CCN(C(=O)Cc3cccc(Cl)c3)C2)nc2ccncc21.
What is the InChIKey of 2-(3-chlorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is MQAKZIYCUXNAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c1-14(2)26-19-12-23-8-6-18(19)24-21(26)16-7-9-25(13-16)20(27)11-15-4-3-5-17(22)10-15/h3-6,8,10,12,14,16H,7,9,11,13H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone?
2-(3-chlorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 382.90 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 83272934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).