[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone

C19H22F2N4O — CID 45176805

IUPAC[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCC2(CCCN(Cc3ccc(F)c(F)c3)C2)C1
InChIInChI=1S/C19H22F2N4O/c20-16-3-2-14(8-17(16)21)11-24-6-1-4-19(12-24)5-7-25(13-19)18(26)15-9-22-23-10-15/h2-3,8-10H,1,4-7,11-13H2,(H,22,23)
InChIKeyRWHHIFCWOZQQAV-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.82
Rot. Bonds3

About [9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone

[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 45176805) has the molecular formula C19H22F2N4O and a molecular weight of 360.41 g/mol. Its IUPAC name is [9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID45176805
Molecular FormulaC19H22F2N4O
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCC2(CCCN(Cc3ccc(F)c(F)c3)C2)C1
InChIInChI=1S/C19H22F2N4O/c20-16-3-2-14(8-17(16)21)11-24-6-1-4-19(12-24)5-7-25(13-19)18(26)15-9-22-23-10-15/h2-3,8-10H,1,4-7,11-13H2,(H,22,23)
InChIKeyRWHHIFCWOZQQAV-UHFFFAOYSA-N
XLogP2.82
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone (CID 45176805) is [9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)N1CCC2(CCCN(Cc3ccc(F)c(F)c3)C2)C1.
What is the InChIKey of [9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is RWHHIFCWOZQQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O/c20-16-3-2-14(8-17(16)21)11-24-6-1-4-19(12-24)5-7-25(13-19)18(26)15-9-22-23-10-15/h2-3,8-10H,1,4-7,11-13H2,(H,22,23).
What are the key properties of [9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone?
[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone has a molecular weight of 360.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 45176805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).