N-[(1S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide

C25H28FN7O4 — CID 175577939

About N-[(1S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide

N-[(1S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide (PubChem CID 175577939) has the molecular formula C25H28FN7O4 and a molecular weight of 509.54 g/mol. Its IUPAC name is N-[(1S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide
• PubChem CID: 175577939
• Molecular Formula: C25H28FN7O4
• Molecular Weight: 509.54 g/mol
• Exact Mass: 509.22
• IUPAC Name: N-[(1S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide
• SMILES: COc1cc(-c2cc(C(=O)N3CCC(C(=O)N[C@@H](C)c4nnc(C5CC5)o4)CC34CC4)[nH]n2)c(F)cn1
• InChI: InChI=1S/C25H28FN7O4/c1-13(22-31-32-23(37-22)14-3-4-14)28-21(34)15-5-8-33(25(11-15)6-7-25)24(35)19-10-18(29-30-19)16-9-20(36-2)27-12-17(16)26/h9-10,12-15H,3-8,11H2,1-2H3,(H,28,34)(H,29,30)/t13-,15?/m0/s1
• InChIKey: DBKAYWCZHKRYAX-CFMCSPIPSA-N
• XLogP: 3.14
• TPSA: 139.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.54
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide?

The IUPAC name of N-[(1S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide (CID 175577939) is N-[(1S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide.

What is the SMILES notation for N-[(1S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide?

The canonical SMILES for N-[(1S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide is COc1cc(-c2cc(C(=O)N3CCC(C(=O)N[C@@H](C)c4nnc(C5CC5)o4)CC34CC4)[nH]n2)c(F)cn1.

What is the InChIKey of N-[(1S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide?

The InChIKey is DBKAYWCZHKRYAX-CFMCSPIPSA-N. The full InChI is InChI=1S/C25H28FN7O4/c1-13(22-31-32-23(37-22)14-3-4-14)28-21(34)15-5-8-33(25(11-15)6-7-25)24(35)19-10-18(29-30-19)16-9-20(36-2)27-12-17(16)26/h9-10,12-15H,3-8,11H2,1-2H3,(H,28,34)(H,29,30)/t13-,15?/m0/s1.

What are the key properties of N-[(1S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide?

N-[(1S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 509.54 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 175577939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).