(7R)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide

C26H31F4N5O4 — CID 167064403

About (7R)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide

(7R)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide (PubChem CID 167064403) has the molecular formula C26H31F4N5O4 and a molecular weight of 553.56 g/mol. Its IUPAC name is (7R)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

• Compound Name: (7R)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide
• PubChem CID: 167064403
• Molecular Formula: C26H31F4N5O4
• Molecular Weight: 553.56 g/mol
• Exact Mass: 553.23
• IUPAC Name: (7R)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide
• SMILES: COc1cc(-c2cc(C(=O)N3CC[C@@H](C(=O)NC4CCC(OC)(C(F)(F)F)CC4)CC34CC4)[nH]n2)c(F)cn1
• InChI: InChI=1S/C26H31F4N5O4/c1-38-21-11-17(18(27)14-31-21)19-12-20(34-33-19)23(37)35-10-5-15(13-24(35)8-9-24)22(36)32-16-3-6-25(39-2,7-4-16)26(28,29)30/h11-12,14-16H,3-10,13H2,1-2H3,(H,32,36)(H,33,34)/t15-,16?,25?/m1/s1
• InChIKey: OKKKHXQGVHECPA-CNRBYNHBSA-N
• XLogP: 4.01
• TPSA: 109.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.56
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (7R)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide?

The IUPAC name of (7R)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide (CID 167064403) is (7R)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide.

What is the SMILES notation for (7R)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide?

The canonical SMILES for (7R)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide is COc1cc(-c2cc(C(=O)N3CC[C@@H](C(=O)NC4CCC(OC)(C(F)(F)F)CC4)CC34CC4)[nH]n2)c(F)cn1.

What is the InChIKey of (7R)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide?

The InChIKey is OKKKHXQGVHECPA-CNRBYNHBSA-N. The full InChI is InChI=1S/C26H31F4N5O4/c1-38-21-11-17(18(27)14-31-21)19-12-20(34-33-19)23(37)35-10-5-15(13-24(35)8-9-24)22(36)32-16-3-6-25(39-2,7-4-16)26(28,29)30/h11-12,14-16H,3-10,13H2,1-2H3,(H,32,36)(H,33,34)/t15-,16?,25?/m1/s1.

What are the key properties of (7R)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide?

(7R)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 553.56 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 167064403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).