[(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-[2-(methylamino)-4-pyridinyl]methanone

C22H27FN4O — CID 25373647

IUPAC[(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-[2-(methylamino)-4-pyridinyl]methanone
SMILESCNc1cc(C(=O)N2CC[C@@]3(CCCN(Cc4ccccc4F)C3)C2)ccn1
InChIInChI=1S/C22H27FN4O/c1-24-20-13-17(7-10-25-20)21(28)27-12-9-22(16-27)8-4-11-26(15-22)14-18-5-2-3-6-19(18)23/h2-3,5-7,10,13H,4,8-9,11-12,14-16H2,1H3,(H,24,25)/t22-/m1/s1
InChIKeyFLWMXXAAMJZPRU-JOCHJYFZSA-N
MW382.48 g/mol
LogP3.39
Rot. Bonds4

About [(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-[2-(methylamino)-4-pyridinyl]methanone

[(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-[2-(methylamino)-4-pyridinyl]methanone (PubChem CID 25373647) has the molecular formula C22H27FN4O and a molecular weight of 382.48 g/mol. Its IUPAC name is [(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-[2-(methylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-[2-(methylamino)-4-pyridinyl]methanone
PubChem CID25373647
Molecular FormulaC22H27FN4O
Molecular Weight382.48 g/mol
Exact Mass382.22
IUPAC Name[(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-[2-(methylamino)-4-pyridinyl]methanone
SMILESCNc1cc(C(=O)N2CC[C@@]3(CCCN(Cc4ccccc4F)C3)C2)ccn1
InChIInChI=1S/C22H27FN4O/c1-24-20-13-17(7-10-25-20)21(28)27-12-9-22(16-27)8-4-11-26(15-22)14-18-5-2-3-6-19(18)23/h2-3,5-7,10,13H,4,8-9,11-12,14-16H2,1H3,(H,24,25)/t22-/m1/s1
InChIKeyFLWMXXAAMJZPRU-JOCHJYFZSA-N
XLogP3.39
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-[2-(methylamino)-4-pyridinyl]methanone with MolForge

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Related Compounds

[(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 25450891
3-[(5S)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 26395243
3-azaspiro[5.5]undecan-3-yl-[2-(methylamino)-4-pyridinyl]methanone
CID 62930860
3-[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]chromen-2-one
CID 45244226
[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 92616651
methyl 4-[[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]benzoate
CID 45221496
5-[(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one
CID 25446669
(2-amino-4-pyridinyl)-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45172895
pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131649206
[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70720563
[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-4-ylmethanone
CID 69429871
[(5R)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methoxyfuran-2-yl)methanone
CID 42461629

Frequently Asked Questions

What is the IUPAC name of [(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The IUPAC name of [(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-[2-(methylamino)-4-pyridinyl]methanone (CID 25373647) is [(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-[2-(methylamino)-4-pyridinyl]methanone.
What is the SMILES notation for [(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The canonical SMILES for [(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-[2-(methylamino)-4-pyridinyl]methanone is CNc1cc(C(=O)N2CC[C@@]3(CCCN(Cc4ccccc4F)C3)C2)ccn1.
What is the InChIKey of [(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The InChIKey is FLWMXXAAMJZPRU-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H27FN4O/c1-24-20-13-17(7-10-25-20)21(28)27-12-9-22(16-27)8-4-11-26(15-22)14-18-5-2-3-6-19(18)23/h2-3,5-7,10,13H,4,8-9,11-12,14-16H2,1H3,(H,24,25)/t22-/m1/s1.
What are the key properties of [(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-[2-(methylamino)-4-pyridinyl]methanone?
[(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-[2-(methylamino)-4-pyridinyl]methanone has a molecular weight of 382.48 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-[2-(methylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 25373647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).