[(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(6-methyl-2-pyridinyl)methanone

C22H25F2N3O — CID 26337224

IUPAC[(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CC[C@]3(CCCN(Cc4cccc(F)c4F)C3)C2)n1
InChIInChI=1S/C22H25F2N3O/c1-16-5-2-8-19(25-16)21(28)27-12-10-22(15-27)9-4-11-26(14-22)13-17-6-3-7-18(23)20(17)24/h2-3,5-8H,4,9-15H2,1H3/t22-/m0/s1
InChIKeyUICQUJPBRBKOAZ-QFIPXVFZSA-N
MW385.46 g/mol
LogP3.80
Rot. Bonds3

About [(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(6-methyl-2-pyridinyl)methanone

[(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(6-methyl-2-pyridinyl)methanone (PubChem CID 26337224) has the molecular formula C22H25F2N3O and a molecular weight of 385.46 g/mol. Its IUPAC name is [(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(6-methyl-2-pyridinyl)methanone
PubChem CID26337224
Molecular FormulaC22H25F2N3O
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name[(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CC[C@]3(CCCN(Cc4cccc(F)c4F)C3)C2)n1
InChIInChI=1S/C22H25F2N3O/c1-16-5-2-8-19(25-16)21(28)27-12-10-22(15-27)9-4-11-26(14-22)13-17-6-3-7-18(23)20(17)24/h2-3,5-8H,4,9-15H2,1H3/t22-/m0/s1
InChIKeyUICQUJPBRBKOAZ-QFIPXVFZSA-N
XLogP3.80
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.80
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
Piberaline
CID 65975
Pyridine amide, 9
CID 44237001
Pyridine amide, 27
CID 44237002
Pyridine amide, 32
CID 44237006
(3-Azabicyclo[3.1.0]hexan-3-yl)(5-((3-fluorophenyl)ethynyl)pyridin-2-yl)methanone
CID 70789094
(1,6-Dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)(p-tolyl)methanone
CID 4871560
Pyridine amide, 28
CID 44237003
Pyridin-2-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2604307
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-2-carboxamide
CID 2986895
[3-Methyl-4-(3-methylphenyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 4883220
[4-[3-(6-Methyl-2-pyridinyl)prop-2-ynylidene]piperidin-1-yl]-phenylmethanone
CID 25183817

Frequently Asked Questions

What is the IUPAC name of [(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of [(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(6-methyl-2-pyridinyl)methanone (CID 26337224) is [(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for [(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(6-methyl-2-pyridinyl)methanone is Cc1cccc(C(=O)N2CC[C@]3(CCCN(Cc4cccc(F)c4F)C3)C2)n1.
What is the InChIKey of [(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(6-methyl-2-pyridinyl)methanone?
The InChIKey is UICQUJPBRBKOAZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H25F2N3O/c1-16-5-2-8-19(25-16)21(28)27-12-10-22(15-27)9-4-11-26(14-22)13-17-6-3-7-18(23)20(17)24/h2-3,5-8H,4,9-15H2,1H3/t22-/m0/s1.
What are the key properties of [(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(6-methyl-2-pyridinyl)methanone?
[(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(6-methyl-2-pyridinyl)methanone has a molecular weight of 385.46 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 26337224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).