2-(5-chlorothiophen-2-yl)-5-piperazin-1-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine

C19H17ClN6S — CID 169033339

IUPAC2-(5-chlorothiophen-2-yl)-5-piperazin-1-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine
SMILESClc1ccc(-c2nc3ccc(N4CCNCC4)nc3n2-c2ccncc2)s1
InChIInChI=1S/C19H17ClN6S/c20-16-3-2-15(27-16)19-23-14-1-4-17(25-11-9-22-10-12-25)24-18(14)26(19)13-5-7-21-8-6-13/h1-8,22H,9-12H2
InChIKeyBMVRFGGEYUHFQE-UHFFFAOYSA-N
MW396.91 g/mol
LogP3.61
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-5-piperazin-1-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine

2-(5-chlorothiophen-2-yl)-5-piperazin-1-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine (PubChem CID 169033339) has the molecular formula C19H17ClN6S and a molecular weight of 396.91 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-5-piperazin-1-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-5-piperazin-1-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine
PubChem CID169033339
Molecular FormulaC19H17ClN6S
Molecular Weight396.91 g/mol
Exact Mass396.09
IUPAC Name2-(5-chlorothiophen-2-yl)-5-piperazin-1-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine
SMILESClc1ccc(-c2nc3ccc(N4CCNCC4)nc3n2-c2ccncc2)s1
InChIInChI=1S/C19H17ClN6S/c20-16-3-2-15(27-16)19-23-14-1-4-17(25-11-9-22-10-12-25)24-18(14)26(19)13-5-7-21-8-6-13/h1-8,22H,9-12H2
InChIKeyBMVRFGGEYUHFQE-UHFFFAOYSA-N
XLogP3.61
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.91
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(5-chlorothiophen-2-yl)-5-piperazin-1-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine with MolForge

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Related Compounds

2-(3-chlorophenyl)-5-(4,7-diazaspiro[2.5]octan-7-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 169033521
2-(5-chloro-2-fluorophenyl)-5-[(2R)-2-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 174115816
5-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 169033419
5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-piperazin-1-yl-1,3-thiazole
CID 86268997
2-(5-chloro-2-fluorophenyl)-5-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 169033225
2-(5-chloro-2-fluorophenyl)-5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 169033345
2-(5-chlorothiophen-2-yl)-3-piperidin-2-ylimidazo[4,5-b]pyridine
CID 117164334
2-(5-chlorothiophen-2-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117164361
dichloroosmium;bis(1-[2-(4-piperazin-1-yl-2-pyridinyl)-4-pyridinyl]piperazine)
CID 144800267
ethane;2-methyl-4-piperazin-1-ylpyrimidine
CID 144746590
4-piperazin-1-yl-2-thiophen-2-ylpyrimidine
CID 82295356
2,4-di(piperazin-1-yl)pyrimidine
CID 6610945

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-5-piperazin-1-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-5-piperazin-1-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine (CID 169033339) is 2-(5-chlorothiophen-2-yl)-5-piperazin-1-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-5-piperazin-1-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-5-piperazin-1-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine is Clc1ccc(-c2nc3ccc(N4CCNCC4)nc3n2-c2ccncc2)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-5-piperazin-1-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine?
The InChIKey is BMVRFGGEYUHFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6S/c20-16-3-2-15(27-16)19-23-14-1-4-17(25-11-9-22-10-12-25)24-18(14)26(19)13-5-7-21-8-6-13/h1-8,22H,9-12H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-5-piperazin-1-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine?
2-(5-chlorothiophen-2-yl)-5-piperazin-1-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine has a molecular weight of 396.91 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-5-piperazin-1-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 169033339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).