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

C26H27FN4O4 — CID 151959003

IUPAC8-(2-fluoro-4-methoxybenzoyl)-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1ccc(C(=O)N2CCC3(CC2)CCN(c2ccc(-c4cn[nH]c4)c(OC)c2)C3=O)c(F)c1
InChIInChI=1S/C26H27FN4O4/c1-34-19-4-6-21(22(27)14-19)24(32)30-10-7-26(8-11-30)9-12-31(25(26)33)18-3-5-20(23(13-18)35-2)17-15-28-29-16-17/h3-6,13-16H,7-12H2,1-2H3,(H,28,29)
InChIKeyTYFYNIPWUSWYHF-UHFFFAOYSA-N
MW478.52 g/mol
LogP3.89
Rot. Bonds5

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

8-(2-fluoro-4-methoxybenzoyl)-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 151959003) has the molecular formula C26H27FN4O4 and a molecular weight of 478.52 g/mol. Its IUPAC name is 8-(2-fluoro-4-methoxybenzoyl)-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(2-fluoro-4-methoxybenzoyl)-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID151959003
Molecular FormulaC26H27FN4O4
Molecular Weight478.52 g/mol
Exact Mass478.20
IUPAC Name8-(2-fluoro-4-methoxybenzoyl)-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1ccc(C(=O)N2CCC3(CC2)CCN(c2ccc(-c4cn[nH]c4)c(OC)c2)C3=O)c(F)c1
InChIInChI=1S/C26H27FN4O4/c1-34-19-4-6-21(22(27)14-19)24(32)30-10-7-26(8-11-30)9-12-31(25(26)33)18-3-5-20(23(13-18)35-2)17-15-28-29-16-17/h3-6,13-16H,7-12H2,1-2H3,(H,28,29)
InChIKeyTYFYNIPWUSWYHF-UHFFFAOYSA-N
XLogP3.89
TPSA87.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoro-4-methoxybenzoyl)-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-methoxybenzoyl)-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one (CID 151959003) is 8-(2-fluoro-4-methoxybenzoyl)-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-methoxybenzoyl)-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-methoxybenzoyl)-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one is COc1ccc(C(=O)N2CCC3(CC2)CCN(c2ccc(-c4cn[nH]c4)c(OC)c2)C3=O)c(F)c1.
What is the InChIKey of 8-(2-fluoro-4-methoxybenzoyl)-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is TYFYNIPWUSWYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O4/c1-34-19-4-6-21(22(27)14-19)24(32)30-10-7-26(8-11-30)9-12-31(25(26)33)18-3-5-20(23(13-18)35-2)17-15-28-29-16-17/h3-6,13-16H,7-12H2,1-2H3,(H,28,29).
What are the key properties of 8-(2-fluoro-4-methoxybenzoyl)-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
8-(2-fluoro-4-methoxybenzoyl)-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 478.52 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoro-4-methoxybenzoyl)-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 151959003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).