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

C27H33F4N5O3 — CID 163295710

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

(7R)-N-[4-ethoxy-4-(trifluoromethyl)cyclohexyl]-4-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide (PubChem CID 163295710) has the molecular formula C27H33F4N5O3 and a molecular weight of 551.59 g/mol. Its IUPAC name is (7R)-N-[4-ethoxy-4-(trifluoromethyl)cyclohexyl]-4-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

• Compound Name: (7R)-N-[4-ethoxy-4-(trifluoromethyl)cyclohexyl]-4-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide
• PubChem CID: 163295710
• Molecular Formula: C27H33F4N5O3
• Molecular Weight: 551.59 g/mol
• Exact Mass: 551.25
• IUPAC Name: (7R)-N-[4-ethoxy-4-(trifluoromethyl)cyclohexyl]-4-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide
• SMILES: CCOC1(C(F)(F)F)CCC(NC(=O)[C@@H]2CCN(C(=O)c3cc(-c4cc(C)ncc4F)n[nH]3)C3(CC3)C2)CC1
• InChI: InChI=1S/C27H33F4N5O3/c1-3-39-26(27(29,30)31)7-4-18(5-8-26)33-23(37)17-6-11-36(25(14-17)9-10-25)24(38)22-13-21(34-35-22)19-12-16(2)32-15-20(19)28/h12-13,15,17-18H,3-11,14H2,1-2H3,(H,33,37)(H,34,35)/t17-,18?,26?/m1/s1
• InChIKey: RIXYPXCPSWMFJN-VTZQIPSXSA-N
• XLogP: 4.70
• TPSA: 100.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.59
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (7R)-N-[4-ethoxy-4-(trifluoromethyl)cyclohexyl]-4-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide (CID 163295710) is (7R)-N-[4-ethoxy-4-(trifluoromethyl)cyclohexyl]-4-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide.

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

The canonical SMILES for (7R)-N-[4-ethoxy-4-(trifluoromethyl)cyclohexyl]-4-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide is CCOC1(C(F)(F)F)CCC(NC(=O)[C@@H]2CCN(C(=O)c3cc(-c4cc(C)ncc4F)n[nH]3)C3(CC3)C2)CC1.

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

The InChIKey is RIXYPXCPSWMFJN-VTZQIPSXSA-N. The full InChI is InChI=1S/C27H33F4N5O3/c1-3-39-26(27(29,30)31)7-4-18(5-8-26)33-23(37)17-6-11-36(25(14-17)9-10-25)24(38)22-13-21(34-35-22)19-12-16(2)32-15-20(19)28/h12-13,15,17-18H,3-11,14H2,1-2H3,(H,33,37)(H,34,35)/t17-,18?,26?/m1/s1.

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

(7R)-N-[4-ethoxy-4-(trifluoromethyl)cyclohexyl]-4-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 551.59 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-N-[4-ethoxy-4-(trifluoromethyl)cyclohexyl]-4-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 163295710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).