2-(3-fluorophenyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one

C20H22FN3O — CID 97473007

IUPAC2-(3-fluorophenyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one
SMILESCc1cccc(CN2CCC3(CC2)CN(c2cccc(F)c2)C3=O)n1
InChIInChI=1S/C20H22FN3O/c1-15-4-2-6-17(22-15)13-23-10-8-20(9-11-23)14-24(19(20)25)18-7-3-5-16(21)12-18/h2-7,12H,8-11,13-14H2,1H3
InChIKeyCFUJOYGAVCWXIN-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.16
Rot. Bonds3

About 2-(3-fluorophenyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one

2-(3-fluorophenyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one (PubChem CID 97473007) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one
PubChem CID97473007
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name2-(3-fluorophenyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one
SMILESCc1cccc(CN2CCC3(CC2)CN(c2cccc(F)c2)C3=O)n1
InChIInChI=1S/C20H22FN3O/c1-15-4-2-6-17(22-15)13-23-10-8-20(9-11-23)14-24(19(20)25)18-7-3-5-16(21)12-18/h2-7,12H,8-11,13-14H2,1H3
InChIKeyCFUJOYGAVCWXIN-UHFFFAOYSA-N
XLogP3.16
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451451
7-[(3-fluorophenyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one
CID 97472971
8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 97449681
2-(3-fluorophenyl)-7-propylsulfonyl-2,7-diazaspiro[3.5]nonan-3-one
CID 97472958
7-[(3,4-difluorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45235909
7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45224935
4-(3-fluorophenyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985939
1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-one
CID 62307525
7-[(3-methylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45205279
(5R)-2-(3-fluorophenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 97373990
4-ethyl-1-methyl-9-[(6-methyl-2-pyridinyl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97398686
7-(2-methoxyethyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45190498

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one?
The IUPAC name of 2-(3-fluorophenyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one (CID 97473007) is 2-(3-fluorophenyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one.
What is the SMILES notation for 2-(3-fluorophenyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one?
The canonical SMILES for 2-(3-fluorophenyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one is Cc1cccc(CN2CCC3(CC2)CN(c2cccc(F)c2)C3=O)n1.
What is the InChIKey of 2-(3-fluorophenyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one?
The InChIKey is CFUJOYGAVCWXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-15-4-2-6-17(22-15)13-23-10-8-20(9-11-23)14-24(19(20)25)18-7-3-5-16(21)12-18/h2-7,12H,8-11,13-14H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one?
2-(3-fluorophenyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one has a molecular weight of 339.41 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one is sourced from PubChem (CID 97473007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).