[10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylcyclopropyl)methanone

C18H27FN4O — CID 131647735

IUPAC[10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylcyclopropyl)methanone
SMILESCC1CC1C(=O)N1CCC(F)C2(CCN(Cc3cnn(C)c3)C2)C1
InChIInChI=1S/C18H27FN4O/c1-13-7-15(13)17(24)23-5-3-16(19)18(12-23)4-6-22(11-18)10-14-8-20-21(2)9-14/h8-9,13,15-16H,3-7,10-12H2,1-2H3
InChIKeyKDQVFPYEISSWBF-UHFFFAOYSA-N
MW334.44 g/mol
LogP1.84
Rot. Bonds3

About [10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylcyclopropyl)methanone

[10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylcyclopropyl)methanone (PubChem CID 131647735) has the molecular formula C18H27FN4O and a molecular weight of 334.44 g/mol. Its IUPAC name is [10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylcyclopropyl)methanone
PubChem CID131647735
Molecular FormulaC18H27FN4O
Molecular Weight334.44 g/mol
Exact Mass334.22
IUPAC Name[10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylcyclopropyl)methanone
SMILESCC1CC1C(=O)N1CCC(F)C2(CCN(Cc3cnn(C)c3)C2)C1
InChIInChI=1S/C18H27FN4O/c1-13-7-15(13)17(24)23-5-3-16(19)18(12-23)4-6-22(11-18)10-14-8-20-21(2)9-14/h8-9,13,15-16H,3-7,10-12H2,1-2H3
InChIKeyKDQVFPYEISSWBF-UHFFFAOYSA-N
XLogP1.84
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylcyclopropyl)methanone?
The IUPAC name of [10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylcyclopropyl)methanone (CID 131647735) is [10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylcyclopropyl)methanone.
What is the SMILES notation for [10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylcyclopropyl)methanone?
The canonical SMILES for [10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylcyclopropyl)methanone is CC1CC1C(=O)N1CCC(F)C2(CCN(Cc3cnn(C)c3)C2)C1.
What is the InChIKey of [10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylcyclopropyl)methanone?
The InChIKey is KDQVFPYEISSWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN4O/c1-13-7-15(13)17(24)23-5-3-16(19)18(12-23)4-6-22(11-18)10-14-8-20-21(2)9-14/h8-9,13,15-16H,3-7,10-12H2,1-2H3.
What are the key properties of [10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylcyclopropyl)methanone?
[10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylcyclopropyl)methanone has a molecular weight of 334.44 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylcyclopropyl)methanone is sourced from PubChem (CID 131647735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).