3-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine

C17H17ClN4 — CID 117162609

IUPAC3-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
SMILESCN1CCCC1c1nc2cccnc2n1-c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN4/c1-21-10-4-8-15(21)17-20-14-7-3-9-19-16(14)22(17)13-6-2-5-12(18)11-13/h2-3,5-7,9,11,15H,4,8,10H2,1H3
InChIKeyNGMTXOWESGIXQG-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.84
Rot. Bonds2

About 3-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine

3-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117162609) has the molecular formula C17H17ClN4 and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
PubChem CID117162609
Molecular FormulaC17H17ClN4
Molecular Weight312.80 g/mol
Exact Mass312.11
IUPAC Name3-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
SMILESCN1CCCC1c1nc2cccnc2n1-c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN4/c1-21-10-4-8-15(21)17-20-14-7-3-9-19-16(14)22(17)13-6-2-5-12(18)11-13/h2-3,5-7,9,11,15H,4,8,10H2,1H3
InChIKeyNGMTXOWESGIXQG-UHFFFAOYSA-N
XLogP3.84
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluorophenyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117163061
3-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162652
3-cyclopentyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162679
2-(1-methylpiperidin-2-yl)-3-pyridin-2-ylimidazo[4,5-b]pyridine
CID 117162978
3-(3-chlorophenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117160489
3-cyclopropyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162666
2,3-bis(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162335
3-tert-butyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162586
3-(5-methylfuran-2-yl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117162958
2-(1-methylpyrrolidin-2-yl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 117162694
2-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117162334
3-(1-ethylpiperidin-3-yl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162305

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine (CID 117162609) is 3-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine is CN1CCCC1c1nc2cccnc2n1-c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is NGMTXOWESGIXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4/c1-21-10-4-8-15(21)17-20-14-7-3-9-19-16(14)22(17)13-6-2-5-12(18)11-13/h2-3,5-7,9,11,15H,4,8,10H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine?
3-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 312.80 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117162609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).