(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C21H25FN4O3 — CID 42289465

About (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 42289465) has the molecular formula C21H25FN4O3 and a molecular weight of 400.45 g/mol. Its IUPAC name is (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

• Compound Name: (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• PubChem CID: 42289465
• Molecular Formula: C21H25FN4O3
• Molecular Weight: 400.45 g/mol
• Exact Mass: 400.19
• IUPAC Name: (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• SMILES: COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)c4cc(C)[nH]n4)C3)C2=O)c1
• InChI: InChI=1S/C21H25FN4O3/c1-14-10-18(24-23-14)19(27)26-9-7-21(13-26)6-3-8-25(20(21)28)12-15-11-16(29-2)4-5-17(15)22/h4-5,10-11H,3,6-9,12-13H2,1-2H3,(H,23,24)/t21-/m1/s1
• InChIKey: FHEWNXQABYEMIO-OAQYLSRUSA-N
• XLogP: 2.52
• TPSA: 78.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.45
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?

The IUPAC name of (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 42289465) is (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

What is the SMILES notation for (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?

The canonical SMILES for (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)c4cc(C)[nH]n4)C3)C2=O)c1.

What is the InChIKey of (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?

The InChIKey is FHEWNXQABYEMIO-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H25FN4O3/c1-14-10-18(24-23-14)19(27)26-9-7-21(13-26)6-3-8-25(20(21)28)12-15-11-16(29-2)4-5-17(15)22/h4-5,10-11H,3,6-9,12-13H2,1-2H3,(H,23,24)/t21-/m1/s1.

What are the key properties of (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?

(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 400.45 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 42289465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).