(2-chloroimidazo[1,2-a]pyridin-3-yl)-[2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C15H18ClN3O2 — CID 86804980

IUPAC(2-chloroimidazo[1,2-a]pyridin-3-yl)-[2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCCC1(CO)CCCN1C(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C15H18ClN3O2/c1-2-15(10-20)7-5-9-19(15)14(21)12-13(16)17-11-6-3-4-8-18(11)12/h3-4,6,8,20H,2,5,7,9-10H2,1H3
InChIKeyKZHKJCGEAGOURQ-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.36
Rot. Bonds3

About (2-chloroimidazo[1,2-a]pyridin-3-yl)-[2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

(2-chloroimidazo[1,2-a]pyridin-3-yl)-[2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 86804980) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is (2-chloroimidazo[1,2-a]pyridin-3-yl)-[2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloroimidazo[1,2-a]pyridin-3-yl)-[2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID86804980
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name(2-chloroimidazo[1,2-a]pyridin-3-yl)-[2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCCC1(CO)CCCN1C(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C15H18ClN3O2/c1-2-15(10-20)7-5-9-19(15)14(21)12-13(16)17-11-6-3-4-8-18(11)12/h3-4,6,8,20H,2,5,7,9-10H2,1H3
InChIKeyKZHKJCGEAGOURQ-UHFFFAOYSA-N
XLogP2.36
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloroimidazo[1,2-a]pyridin-3-yl)-[2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-chloroimidazo[1,2-a]pyridin-3-yl)-[2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 86804980) is (2-chloroimidazo[1,2-a]pyridin-3-yl)-[2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-chloroimidazo[1,2-a]pyridin-3-yl)-[2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-chloroimidazo[1,2-a]pyridin-3-yl)-[2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is CCC1(CO)CCCN1C(=O)c1c(Cl)nc2ccccn12.
What is the InChIKey of (2-chloroimidazo[1,2-a]pyridin-3-yl)-[2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is KZHKJCGEAGOURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-2-15(10-20)7-5-9-19(15)14(21)12-13(16)17-11-6-3-4-8-18(11)12/h3-4,6,8,20H,2,5,7,9-10H2,1H3.
What are the key properties of (2-chloroimidazo[1,2-a]pyridin-3-yl)-[2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(2-chloroimidazo[1,2-a]pyridin-3-yl)-[2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 307.78 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroimidazo[1,2-a]pyridin-3-yl)-[2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 86804980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).