8-(2-fluoro-4-methylbenzoyl)-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one

C26H27FN4O3 — CID 163603801

IUPAC8-(2-fluoro-4-methylbenzoyl)-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1cc(N2CCC3(CCN(C(=O)c4ccc(C)cc4F)CC3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C26H27FN4O3/c1-17-3-5-21(22(27)13-17)24(32)30-10-7-26(8-11-30)9-12-31(25(26)33)19-4-6-20(23(14-19)34-2)18-15-28-29-16-18/h3-6,13-16H,7-12H2,1-2H3,(H,28,29)
InChIKeyHAAINXFTPDLVLT-UHFFFAOYSA-N
MW462.53 g/mol
LogP4.19
Rot. Bonds4

About 8-(2-fluoro-4-methylbenzoyl)-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one

8-(2-fluoro-4-methylbenzoyl)-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 163603801) has the molecular formula C26H27FN4O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is 8-(2-fluoro-4-methylbenzoyl)-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(2-fluoro-4-methylbenzoyl)-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID163603801
Molecular FormulaC26H27FN4O3
Molecular Weight462.53 g/mol
Exact Mass462.21
IUPAC Name8-(2-fluoro-4-methylbenzoyl)-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1cc(N2CCC3(CCN(C(=O)c4ccc(C)cc4F)CC3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C26H27FN4O3/c1-17-3-5-21(22(27)13-17)24(32)30-10-7-26(8-11-30)9-12-31(25(26)33)19-4-6-20(23(14-19)34-2)18-15-28-29-16-18/h3-6,13-16H,7-12H2,1-2H3,(H,28,29)
InChIKeyHAAINXFTPDLVLT-UHFFFAOYSA-N
XLogP4.19
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(2R)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-4-phenylbutanamide
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3-[(3-methoxyphenyl)methyl]-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
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3-(3-chlorophenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
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3-(3-fluorophenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
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3-(3-methoxyphenyl)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
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1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpyrrolidin-2-one
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CID 118239104
(2R)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoro-4-methylbenzoyl)-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(2-fluoro-4-methylbenzoyl)-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one (CID 163603801) is 8-(2-fluoro-4-methylbenzoyl)-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(2-fluoro-4-methylbenzoyl)-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(2-fluoro-4-methylbenzoyl)-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one is COc1cc(N2CCC3(CCN(C(=O)c4ccc(C)cc4F)CC3)C2=O)ccc1-c1cn[nH]c1.
What is the InChIKey of 8-(2-fluoro-4-methylbenzoyl)-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is HAAINXFTPDLVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O3/c1-17-3-5-21(22(27)13-17)24(32)30-10-7-26(8-11-30)9-12-31(25(26)33)19-4-6-20(23(14-19)34-2)18-15-28-29-16-18/h3-6,13-16H,7-12H2,1-2H3,(H,28,29).
What are the key properties of 8-(2-fluoro-4-methylbenzoyl)-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
8-(2-fluoro-4-methylbenzoyl)-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 462.53 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoro-4-methylbenzoyl)-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 163603801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).