N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide

C23H22FN5O3 — CID 24987596

About N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide

N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide (PubChem CID 24987596) has the molecular formula C23H22FN5O3 and a molecular weight of 435.46 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide
• PubChem CID: 24987596
• Molecular Formula: C23H22FN5O3
• Molecular Weight: 435.46 g/mol
• Exact Mass: 435.17
• IUPAC Name: N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide
• SMILES: O=C(Nc1ccn(-c2ccccc2F)n1)C1CCC2(CC1)CN(c1cccnc1)C(=O)O2
• InChI: InChI=1S/C23H22FN5O3/c24-18-5-1-2-6-19(18)29-13-9-20(27-29)26-21(30)16-7-10-23(11-8-16)15-28(22(31)32-23)17-4-3-12-25-14-17/h1-6,9,12-14,16H,7-8,10-11,15H2,(H,26,27,30)
• InChIKey: NNTPFKUYDMNCEI-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.46
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide?

The IUPAC name of N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide (CID 24987596) is N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide.

What is the SMILES notation for N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide?

The canonical SMILES for N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide is O=C(Nc1ccn(-c2ccccc2F)n1)C1CCC2(CC1)CN(c1cccnc1)C(=O)O2.

What is the InChIKey of N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide?

The InChIKey is NNTPFKUYDMNCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3/c24-18-5-1-2-6-19(18)29-13-9-20(27-29)26-21(30)16-7-10-23(11-8-16)15-28(22(31)32-23)17-4-3-12-25-14-17/h1-6,9,12-14,16H,7-8,10-11,15H2,(H,26,27,30).

What are the key properties of N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide?

N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 435.46 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 24987596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).