1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one

C21H27FN4O — CID 162636262

IUPAC1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(C)N1CCCC2(CCCN2Cc2cn[nH]c2-c2ccc(F)cc2)C1=O
InChIInChI=1S/C21H27FN4O/c1-15(2)26-12-4-10-21(20(26)27)9-3-11-25(21)14-17-13-23-24-19(17)16-5-7-18(22)8-6-16/h5-8,13,15H,3-4,9-12,14H2,1-2H3,(H,23,24)
InChIKeyABWQNYKMZXYCEP-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.58
Rot. Bonds4

About 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one

1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162636262) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162636262
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC Name1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(C)N1CCCC2(CCCN2Cc2cn[nH]c2-c2ccc(F)cc2)C1=O
InChIInChI=1S/C21H27FN4O/c1-15(2)26-12-4-10-21(20(26)27)9-3-11-25(21)14-17-13-23-24-19(17)16-5-7-18(22)8-6-16/h5-8,13,15H,3-4,9-12,14H2,1-2H3,(H,23,24)
InChIKeyABWQNYKMZXYCEP-UHFFFAOYSA-N
XLogP3.58
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[(3S,5R)-3-amino-2-(2,5-difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)piperidin-1-yl]-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone
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CID 90430365
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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one (CID 162636262) is 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one is CC(C)N1CCCC2(CCCN2Cc2cn[nH]c2-c2ccc(F)cc2)C1=O.
What is the InChIKey of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is ABWQNYKMZXYCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c1-15(2)26-12-4-10-21(20(26)27)9-3-11-25(21)14-17-13-23-24-19(17)16-5-7-18(22)8-6-16/h5-8,13,15H,3-4,9-12,14H2,1-2H3,(H,23,24).
What are the key properties of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 370.47 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162636262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).