3-[(3-chlorophenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine

C20H24ClN5 — CID 126720425

IUPAC3-[(3-chlorophenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine
SMILESCC(C)c1nc2c(N3CCNCC3)ccnc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C20H24ClN5/c1-14(2)19-24-18-17(25-10-8-22-9-11-25)6-7-23-20(18)26(19)13-15-4-3-5-16(21)12-15/h3-7,12,14,22H,8-11,13H2,1-2H3
InChIKeyOQJMIPYHRMQITD-UHFFFAOYSA-N
MW369.90 g/mol
LogP3.67
Rot. Bonds4

About 3-[(3-chlorophenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine

3-[(3-chlorophenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine (PubChem CID 126720425) has the molecular formula C20H24ClN5 and a molecular weight of 369.90 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine
PubChem CID126720425
Molecular FormulaC20H24ClN5
Molecular Weight369.90 g/mol
Exact Mass369.17
IUPAC Name3-[(3-chlorophenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine
SMILESCC(C)c1nc2c(N3CCNCC3)ccnc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C20H24ClN5/c1-14(2)19-24-18-17(25-10-8-22-9-11-25)6-7-23-20(18)26(19)13-15-4-3-5-16(21)12-15/h3-7,12,14,22H,8-11,13H2,1-2H3
InChIKeyOQJMIPYHRMQITD-UHFFFAOYSA-N
XLogP3.67
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Glu-P 1
CID 49971
1-(9-(4-chlorophenyl)-8-(2-chlorophenyl)-9H-purin-6-yl)-4-ethylaminopiperidine-4-carboxylic acid amide
CID 10052040
Arprinocid
CID 41574
Miransertib
CID 53262401
L-745870
CID 5311200
Cgp74514A
CID 2794188
2-(4-Chlorophenyl)imidazo(1,2-a)pyridine
CID 745769
Otenabant hydrochloride
CID 16223963
6-chloro-7-(4-(4-chlorobenzyl)piperazin-1-yl)-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo(4,5-b)pyridine
CID 71454279
Cyclopropyl-(4-(5-(3,4-Dichlorophenyl)-2-((1-Methyl)-Piperidin)-4-Yl-3-Propyl-3h-Imidazol-4-Yl)-Pyrimidin-2-Yl)Amine
CID 447872
4-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-amine
CID 17751819

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine (CID 126720425) is 3-[(3-chlorophenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine is CC(C)c1nc2c(N3CCNCC3)ccnc2n1Cc1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine?
The InChIKey is OQJMIPYHRMQITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5/c1-14(2)19-24-18-17(25-10-8-22-9-11-25)6-7-23-20(18)26(19)13-15-4-3-5-16(21)12-15/h3-7,12,14,22H,8-11,13H2,1-2H3.
What are the key properties of 3-[(3-chlorophenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine?
3-[(3-chlorophenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine has a molecular weight of 369.90 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 126720425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).