2-(5-chloro-2-fluorophenyl)-5-[(2R)-2-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine

C22H20ClFN6 — CID 174115816

IUPAC2-(5-chloro-2-fluorophenyl)-5-[(2R)-2-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine
SMILESC[C@@H]1CNCCN1c1ccc2nc(-c3cc(Cl)ccc3F)n(-c3ccncc3)c2n1
InChIInChI=1S/C22H20ClFN6/c1-14-13-26-10-11-29(14)20-5-4-19-22(28-20)30(16-6-8-25-9-7-16)21(27-19)17-12-15(23)2-3-18(17)24/h2-9,12,14,26H,10-11,13H2,1H3/t14-/m1/s1
InChIKeyAJUMIFWTZICOLC-CQSZACIVSA-N
MW422.90 g/mol
LogP4.07
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-5-[(2R)-2-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine

2-(5-chloro-2-fluorophenyl)-5-[(2R)-2-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine (PubChem CID 174115816) has the molecular formula C22H20ClFN6 and a molecular weight of 422.90 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-5-[(2R)-2-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-5-[(2R)-2-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine
PubChem CID174115816
Molecular FormulaC22H20ClFN6
Molecular Weight422.90 g/mol
Exact Mass422.14
IUPAC Name2-(5-chloro-2-fluorophenyl)-5-[(2R)-2-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine
SMILESC[C@@H]1CNCCN1c1ccc2nc(-c3cc(Cl)ccc3F)n(-c3ccncc3)c2n1
InChIInChI=1S/C22H20ClFN6/c1-14-13-26-10-11-29(14)20-5-4-19-22(28-20)30(16-6-8-25-9-7-16)21(27-19)17-12-15(23)2-3-18(17)24/h2-9,12,14,26H,10-11,13H2,1H3/t14-/m1/s1
InChIKeyAJUMIFWTZICOLC-CQSZACIVSA-N
XLogP4.07
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.90
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-difluorophenyl)-5-(2-methylpiperazin-1-yl)-3-pyridazin-4-ylimidazo[4,5-b]pyridine
CID 169033466
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-chloro-2-fluorophenyl)-5-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 169033225
3-[2-(difluoromethyl)-4-pyridinyl]-2-(5-fluoro-2-pyridinyl)-5-(2-methylpiperazin-1-yl)imidazo[4,5-b]pyridine
CID 169033264
(2S)-1-(4-chloro-2-pyridinyl)-2-methylpiperazine
CID 96905168
(2S)-2-methyl-1-pyridin-4-ylpiperazine
CID 94546152
2-(5-chlorothiophen-2-yl)-5-piperazin-1-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 169033339
(2S)-1-(4-fluoro-3-methylphenyl)-2-methylpiperazine
CID 121448830
2-chloro-4-[(2S)-2-methylpiperazin-1-yl]pyrimidine
CID 86329375
(1R,4R)-5-[2-(2,4-difluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 169033381
2-chloro-6-(2-methylpiperazin-1-yl)pyrazine
CID 18186773
3-chloro-6-(2-methylpiperazin-1-yl)pyridazine
CID 62673005

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-5-[(2R)-2-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-5-[(2R)-2-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine (CID 174115816) is 2-(5-chloro-2-fluorophenyl)-5-[(2R)-2-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-5-[(2R)-2-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-5-[(2R)-2-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine is C[C@@H]1CNCCN1c1ccc2nc(-c3cc(Cl)ccc3F)n(-c3ccncc3)c2n1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-5-[(2R)-2-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine?
The InChIKey is AJUMIFWTZICOLC-CQSZACIVSA-N. The full InChI is InChI=1S/C22H20ClFN6/c1-14-13-26-10-11-29(14)20-5-4-19-22(28-20)30(16-6-8-25-9-7-16)21(27-19)17-12-15(23)2-3-18(17)24/h2-9,12,14,26H,10-11,13H2,1H3/t14-/m1/s1.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-5-[(2R)-2-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine?
2-(5-chloro-2-fluorophenyl)-5-[(2R)-2-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine has a molecular weight of 422.90 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-5-[(2R)-2-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 174115816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).