2-(5-chloro-2-fluorophenyl)-5-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine

C25H24ClFN6 — CID 169033225

IUPAC2-(5-chloro-2-fluorophenyl)-5-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
SMILESCN1CCC2(CCN(c3ccc4nc(-c5cc(Cl)ccc5F)n(-c5ccncc5)c4n3)C2)C1
InChIInChI=1S/C25H24ClFN6/c1-31-12-8-25(15-31)9-13-32(16-25)22-5-4-21-24(30-22)33(18-6-10-28-11-7-18)23(29-21)19-14-17(26)2-3-20(19)27/h2-7,10-11,14H,8-9,12-13,15-16H2,1H3
InChIKeyUNAXUZRMICRDFG-UHFFFAOYSA-N
MW462.96 g/mol
LogP4.81
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-5-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine

2-(5-chloro-2-fluorophenyl)-5-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine (PubChem CID 169033225) has the molecular formula C25H24ClFN6 and a molecular weight of 462.96 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-5-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-5-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
PubChem CID169033225
Molecular FormulaC25H24ClFN6
Molecular Weight462.96 g/mol
Exact Mass462.17
IUPAC Name2-(5-chloro-2-fluorophenyl)-5-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
SMILESCN1CCC2(CCN(c3ccc4nc(-c5cc(Cl)ccc5F)n(-c5ccncc5)c4n3)C2)C1
InChIInChI=1S/C25H24ClFN6/c1-31-12-8-25(15-31)9-13-32(16-25)22-5-4-21-24(30-22)33(18-6-10-28-11-7-18)23(29-21)19-14-17(26)2-3-20(19)27/h2-7,10-11,14H,8-9,12-13,15-16H2,1H3
InChIKeyUNAXUZRMICRDFG-UHFFFAOYSA-N
XLogP4.81
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.96
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(5-chloro-2-fluorophenyl)-5-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine with MolForge

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Related Compounds

2-(5-chloro-2-fluorophenyl)-5-[(2R)-2-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 174115816
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-(3-chlorophenyl)-5-(4,7-diazaspiro[2.5]octan-7-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 169033521
7-(5-chloro-2-pyridinyl)-2-methyl-2,7-diazaspiro[4.5]decane
CID 56749174
2-(5-chlorothiophen-2-yl)-5-piperazin-1-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 169033339
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
(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
6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline
CID 163351362
2-(2-fluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 83430661
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyrazine-2-carboxamide
CID 166508079
2-methyl-7-(4-methylphenyl)-2,7-diazaspiro[3.5]nonane
CID 163257013
2-methyl-7-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane
CID 171070249

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-5-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine?
The IUPAC name of 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) is 2-(5-chloro-2-fluorophenyl)-5-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-5-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-5-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine is CN1CCC2(CCN(c3ccc4nc(-c5cc(Cl)ccc5F)n(-c5ccncc5)c4n3)C2)C1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-5-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine?
The InChIKey is UNAXUZRMICRDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN6/c1-31-12-8-25(15-31)9-13-32(16-25)22-5-4-21-24(30-22)33(18-6-10-28-11-7-18)23(29-21)19-14-17(26)2-3-20(19)27/h2-7,10-11,14H,8-9,12-13,15-16H2,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-5-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine?
2-(5-chloro-2-fluorophenyl)-5-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine has a molecular weight of 462.96 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-5-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 169033225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).