[9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone

C21H23F2N3O — CID 45222518

IUPAC[9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC2(CCCN(Cc3cccc(F)c3F)C2)C1
InChIInChI=1S/C21H23F2N3O/c22-17-6-3-5-16(19(17)23)13-25-11-4-8-21(14-25)9-12-26(15-21)20(27)18-7-1-2-10-24-18/h1-3,5-7,10H,4,8-9,11-15H2
InChIKeyGRYNAXADROZFSF-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.49
Rot. Bonds3

About [9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone

[9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone (PubChem CID 45222518) has the molecular formula C21H23F2N3O and a molecular weight of 371.43 g/mol. Its IUPAC name is [9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone
PubChem CID45222518
Molecular FormulaC21H23F2N3O
Molecular Weight371.43 g/mol
Exact Mass371.18
IUPAC Name[9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC2(CCCN(Cc3cccc(F)c3F)C2)C1
InChIInChI=1S/C21H23F2N3O/c22-17-6-3-5-16(19(17)23)13-25-11-4-8-21(14-25)9-12-26(15-21)20(27)18-7-1-2-10-24-18/h1-3,5-7,10H,4,8-9,11-15H2
InChIKeyGRYNAXADROZFSF-UHFFFAOYSA-N
XLogP3.49
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-Dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
CID 24808495
N-(3-(trifluoromethyl)phenyl)pyridine-2-carboxamide
CID 2306530
N-(3,5-bis(trifluoromethyl)benzyl)-N,7-dimethyl-8-oxo-5-p-tolyl-7,8-dihydro-1,7-naphthyridine-6-carboxamide
CID 9871754
N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 1489242
(5-Phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-2-yl)methanone
CID 3078470
Piberaline
CID 65975
(3-Azabicyclo[3.1.0]hexan-3-yl)(5-((3-fluorophenyl)ethynyl)pyridin-2-yl)methanone
CID 70789094
5-(4-Fluoro-phenyl)-7-methyl-8-oxo-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
CID 9871891
7-Methyl-8-oxo-5-phenyl-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
CID 10369373
(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethyl-pyridin-2-yl)-methanone
CID 25126154
5-[[(3R)-1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-yl]amino]-N-methylpyridine-2-carboxamide
CID 168177312
5-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-yl]amino]-N-methylpyridine-2-carboxamide
CID 168177329

Frequently Asked Questions

What is the IUPAC name of [9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone?
The IUPAC name of [9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone (CID 45222518) is [9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCC2(CCCN(Cc3cccc(F)c3F)C2)C1.
What is the InChIKey of [9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone?
The InChIKey is GRYNAXADROZFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O/c22-17-6-3-5-16(19(17)23)13-25-11-4-8-21(14-25)9-12-26(15-21)20(27)18-7-1-2-10-24-18/h1-3,5-7,10H,4,8-9,11-15H2.
What are the key properties of [9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone?
[9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone has a molecular weight of 371.43 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 45222518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).