2-(2-chloro-6-fluorophenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone

C19H18ClFN4O — CID 83275832

IUPAC2-(2-chloro-6-fluorophenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
SMILESCn1c(C2CCN(C(=O)Cc3c(F)cccc3Cl)C2)nc2ccncc21
InChIInChI=1S/C19H18ClFN4O/c1-24-17-10-22-7-5-16(17)23-19(24)12-6-8-25(11-12)18(26)9-13-14(20)3-2-4-15(13)21/h2-5,7,10,12H,6,8-9,11H2,1H3
InChIKeyQDPULJUIMHNEBO-UHFFFAOYSA-N
MW372.83 g/mol
LogP3.32
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone

2-(2-chloro-6-fluorophenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 83275832) has the molecular formula C19H18ClFN4O and a molecular weight of 372.83 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID83275832
Molecular FormulaC19H18ClFN4O
Molecular Weight372.83 g/mol
Exact Mass372.12
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
SMILESCn1c(C2CCN(C(=O)Cc3c(F)cccc3Cl)C2)nc2ccncc21
InChIInChI=1S/C19H18ClFN4O/c1-24-17-10-22-7-5-16(17)23-19(24)12-6-8-25(11-12)18(26)9-13-14(20)3-2-4-15(13)21/h2-5,7,10,12H,6,8-9,11H2,1H3
InChIKeyQDPULJUIMHNEBO-UHFFFAOYSA-N
XLogP3.32
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone (CID 83275832) is 2-(2-chloro-6-fluorophenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone is Cn1c(C2CCN(C(=O)Cc3c(F)cccc3Cl)C2)nc2ccncc21.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is QDPULJUIMHNEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O/c1-24-17-10-22-7-5-16(17)23-19(24)12-6-8-25(11-12)18(26)9-13-14(20)3-2-4-15(13)21/h2-5,7,10,12H,6,8-9,11H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone?
2-(2-chloro-6-fluorophenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 372.83 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 83275832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).