2-(3-chlorophenyl)-5-(4,7-diazaspiro[2.5]octan-7-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine

C23H21ClN6 — CID 169033521

IUPAC2-(3-chlorophenyl)-5-(4,7-diazaspiro[2.5]octan-7-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
SMILESClc1cccc(-c2nc3ccc(N4CCNC5(CC5)C4)nc3n2-c2ccncc2)c1
InChIInChI=1S/C23H21ClN6/c24-17-3-1-2-16(14-17)21-27-19-4-5-20(29-13-12-26-23(15-29)8-9-23)28-22(19)30(21)18-6-10-25-11-7-18/h1-7,10-11,14,26H,8-9,12-13,15H2
InChIKeyFGCOOXKWBZXBIC-UHFFFAOYSA-N
MW416.92 g/mol
LogP4.08
Rot. Bonds3

About 2-(3-chlorophenyl)-5-(4,7-diazaspiro[2.5]octan-7-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine

2-(3-chlorophenyl)-5-(4,7-diazaspiro[2.5]octan-7-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine (PubChem CID 169033521) has the molecular formula C23H21ClN6 and a molecular weight of 416.92 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-(4,7-diazaspiro[2.5]octan-7-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-(4,7-diazaspiro[2.5]octan-7-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
PubChem CID169033521
Molecular FormulaC23H21ClN6
Molecular Weight416.92 g/mol
Exact Mass416.15
IUPAC Name2-(3-chlorophenyl)-5-(4,7-diazaspiro[2.5]octan-7-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
SMILESClc1cccc(-c2nc3ccc(N4CCNC5(CC5)C4)nc3n2-c2ccncc2)c1
InChIInChI=1S/C23H21ClN6/c24-17-3-1-2-16(14-17)21-27-19-4-5-20(29-13-12-26-23(15-29)8-9-23)28-22(19)30(21)18-6-10-25-11-7-18/h1-7,10-11,14,26H,8-9,12-13,15H2
InChIKeyFGCOOXKWBZXBIC-UHFFFAOYSA-N
XLogP4.08
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.92
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-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
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
10-(3-chlorophenyl)-6,10-diazaspiro[4.6]undecane
CID 64944935
3-[3-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)phenyl]-5-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171495971
7-phenyl-4,7-diazaspiro[2.5]octane
CID 146100859
9-(2-chloro-6-methylphenyl)-6,9-diazaspiro[4.5]decane
CID 66257215
6-(3-chlorophenyl)-8-(4-pyridin-4-ylpiperazin-1-yl)imidazo[1,2-a]pyrazine
CID 45488436
3,3-dimethyl-1-(6-methyl-2-pyridinyl)piperazine
CID 82993443
6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline
CID 163351362

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-(4,7-diazaspiro[2.5]octan-7-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-chlorophenyl)-5-(4,7-diazaspiro[2.5]octan-7-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine (CID 169033521) is 2-(3-chlorophenyl)-5-(4,7-diazaspiro[2.5]octan-7-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-chlorophenyl)-5-(4,7-diazaspiro[2.5]octan-7-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-chlorophenyl)-5-(4,7-diazaspiro[2.5]octan-7-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine is Clc1cccc(-c2nc3ccc(N4CCNC5(CC5)C4)nc3n2-c2ccncc2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-5-(4,7-diazaspiro[2.5]octan-7-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine?
The InChIKey is FGCOOXKWBZXBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6/c24-17-3-1-2-16(14-17)21-27-19-4-5-20(29-13-12-26-23(15-29)8-9-23)28-22(19)30(21)18-6-10-25-11-7-18/h1-7,10-11,14,26H,8-9,12-13,15H2.
What are the key properties of 2-(3-chlorophenyl)-5-(4,7-diazaspiro[2.5]octan-7-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine?
2-(3-chlorophenyl)-5-(4,7-diazaspiro[2.5]octan-7-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine has a molecular weight of 416.92 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-(4,7-diazaspiro[2.5]octan-7-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 169033521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).