6-chloro-3-[5-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyridine

C17H17ClN4 — CID 132649098

IUPAC6-chloro-3-[5-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyridine
SMILESClc1ccc2ncc(-c3ccc(CC4CCNC4)cn3)n2c1
InChIInChI=1S/C17H17ClN4/c18-14-2-4-17-21-10-16(22(17)11-14)15-3-1-12(9-20-15)7-13-5-6-19-8-13/h1-4,9-11,13,19H,5-8H2
InChIKeyGJNMHGRSBRDHQU-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.20
Rot. Bonds3

About 6-chloro-3-[5-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyridine

6-chloro-3-[5-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyridine (PubChem CID 132649098) has the molecular formula C17H17ClN4 and a molecular weight of 312.80 g/mol. Its IUPAC name is 6-chloro-3-[5-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-3-[5-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyridine
PubChem CID132649098
Molecular FormulaC17H17ClN4
Molecular Weight312.80 g/mol
Exact Mass312.11
IUPAC Name6-chloro-3-[5-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyridine
SMILESClc1ccc2ncc(-c3ccc(CC4CCNC4)cn3)n2c1
InChIInChI=1S/C17H17ClN4/c18-14-2-4-17-21-10-16(22(17)11-14)15-3-1-12(9-20-15)7-13-5-6-19-8-13/h1-4,9-11,13,19H,5-8H2
InChIKeyGJNMHGRSBRDHQU-UHFFFAOYSA-N
XLogP3.20
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054647
6-chloro-3-(4-piperidin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridine
CID 155985571
2-(5-methyl-1H-pyrazol-3-yl)-5-(pyrrolidin-3-ylmethyl)pyridine
CID 110102053
6-chloro-3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139379
4,5-dimethyl-2-[5-[[(3S)-pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,3-thiazole
CID 125019372
2-(2-methylpyrazol-3-yl)-5-(piperidin-3-ylmethyl)pyridine
CID 110102100
3-[(3,4-dichlorophenyl)methyl]pyrrolidine
CID 82158944
N-(azetidin-3-yl)-4-bromo-6-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
CID 134300738
6-chloro-3-(2-piperazin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine
CID 139365202
2-imidazol-1-yl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyridine
CID 124980656
3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 132778478
3-(6-bromo-2-pyridinyl)-6-chloroimidazo[1,2-a]pyridine
CID 70700368

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[5-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-3-[5-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyridine (CID 132649098) is 6-chloro-3-[5-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-3-[5-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-3-[5-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyridine is Clc1ccc2ncc(-c3ccc(CC4CCNC4)cn3)n2c1.
What is the InChIKey of 6-chloro-3-[5-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyridine?
The InChIKey is GJNMHGRSBRDHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4/c18-14-2-4-17-21-10-16(22(17)11-14)15-3-1-12(9-20-15)7-13-5-6-19-8-13/h1-4,9-11,13,19H,5-8H2.
What are the key properties of 6-chloro-3-[5-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyridine?
6-chloro-3-[5-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyridine has a molecular weight of 312.80 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[5-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 132649098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).