2-(3-chloro-4-fluorophenyl)-7-methyl-1-(5-phenyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one

C25H23ClFN3O — CID 143644463

IUPAC2-(3-chloro-4-fluorophenyl)-7-methyl-1-(5-phenyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one
SMILESCN1CCC2(CC1)C(=O)N(c1ccc(F)c(Cl)c1)C2c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C25H23ClFN3O/c1-29-13-11-25(12-14-29)23(30(24(25)31)19-8-9-21(27)20(26)15-19)22-10-7-18(16-28-22)17-5-3-2-4-6-17/h2-10,15-16,23H,11-14H2,1H3
InChIKeyCYUUGPCUHDWITA-UHFFFAOYSA-N
MW435.93 g/mol
LogP5.34
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-7-methyl-1-(5-phenyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one

2-(3-chloro-4-fluorophenyl)-7-methyl-1-(5-phenyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one (PubChem CID 143644463) has the molecular formula C25H23ClFN3O and a molecular weight of 435.93 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-7-methyl-1-(5-phenyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-7-methyl-1-(5-phenyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one
PubChem CID143644463
Molecular FormulaC25H23ClFN3O
Molecular Weight435.93 g/mol
Exact Mass435.15
IUPAC Name2-(3-chloro-4-fluorophenyl)-7-methyl-1-(5-phenyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one
SMILESCN1CCC2(CC1)C(=O)N(c1ccc(F)c(Cl)c1)C2c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C25H23ClFN3O/c1-29-13-11-25(12-14-29)23(30(24(25)31)19-8-9-21(27)20(26)15-19)22-10-7-18(16-28-22)17-5-3-2-4-6-17/h2-10,15-16,23H,11-14H2,1H3
InChIKeyCYUUGPCUHDWITA-UHFFFAOYSA-N
XLogP5.34
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.93
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-2-(4-Chlorophenyl)-2-Pyridin-3-Yl-1-[4-[4-(Trifluoromethyl)phenyl]piperazin-1-Yl]ethanone
CID 71720882
N-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide
CID 10026002
2-(3-chloro-4-fluorophenyl)-N-(3,5-difluorophenyl)-1-(pyridin-2-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 49863137
2-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)-1-oxo-3-(pyridin-2-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 49863173
2-(3-chlorophenyl)-N-(3,4-difluorophenyl)-1-oxo-3-(pyridin-2-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 49863206
2-(3-chlorophenyl)-N-(3,5-difluorophenyl)-1-oxo-3-(pyridin-2-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 49863241
2-(5-chloropyridin-3-yl)-N-(3,5-difluorophenyl)-1-oxo-3-(pyridin-2-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 49863257
2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(4-fluorophenyl)piperazino]-1-ethanone
CID 3302336
[4-(3-Fluoro-2,2-dimethyl-3,3-diphenyl-propionyl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10322496
1-[4-(13-Chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-methyl-2-pyridin-3-ylpropan-1-one
CID 10551942
Endo-8-(bis(2-chlorophenyl)methyl)-3-(5-fluoropyridin-2-yl)-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 44247589
((3R,4S)-4-(4-chlorophenyl)-1-isopropylpyrrolidin-3-yl)(4-(1-((pyridin-2-ylmethylamino)methyl)cyclohexyl)piperazin-1-yl)methanone
CID 44442977

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-7-methyl-1-(5-phenyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-7-methyl-1-(5-phenyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one (CID 143644463) is 2-(3-chloro-4-fluorophenyl)-7-methyl-1-(5-phenyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-7-methyl-1-(5-phenyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-7-methyl-1-(5-phenyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one is CN1CCC2(CC1)C(=O)N(c1ccc(F)c(Cl)c1)C2c1ccc(-c2ccccc2)cn1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-7-methyl-1-(5-phenyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one?
The InChIKey is CYUUGPCUHDWITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN3O/c1-29-13-11-25(12-14-29)23(30(24(25)31)19-8-9-21(27)20(26)15-19)22-10-7-18(16-28-22)17-5-3-2-4-6-17/h2-10,15-16,23H,11-14H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-7-methyl-1-(5-phenyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one?
2-(3-chloro-4-fluorophenyl)-7-methyl-1-(5-phenyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one has a molecular weight of 435.93 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-7-methyl-1-(5-phenyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one is sourced from PubChem (CID 143644463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).