(7R)-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-4-[3-(6-methoxypyrimidin-4-yl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide

C24H29F3N6O4 — CID 163294868

About (7R)-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-4-[3-(6-methoxypyrimidin-4-yl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide

(7R)-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-4-[3-(6-methoxypyrimidin-4-yl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide (PubChem CID 163294868) has the molecular formula C24H29F3N6O4 and a molecular weight of 522.53 g/mol. Its IUPAC name is (7R)-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-4-[3-(6-methoxypyrimidin-4-yl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

• Compound Name: (7R)-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-4-[3-(6-methoxypyrimidin-4-yl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide
• PubChem CID: 163294868
• Molecular Formula: C24H29F3N6O4
• Molecular Weight: 522.53 g/mol
• Exact Mass: 522.22
• IUPAC Name: (7R)-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-4-[3-(6-methoxypyrimidin-4-yl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide
• SMILES: COc1cc(-c2cc(C(=O)N3CC[C@@H](C(=O)NC4CCC(O)(C(F)(F)F)CC4)CC34CC4)[nH]n2)ncn1
• InChI: InChI=1S/C24H29F3N6O4/c1-37-19-11-16(28-13-29-19)17-10-18(32-31-17)21(35)33-9-4-14(12-22(33)7-8-22)20(34)30-15-2-5-23(36,6-3-15)24(25,26)27/h10-11,13-15,36H,2-9,12H2,1H3,(H,30,34)(H,31,32)/t14-,15?,23?/m1/s1
• InChIKey: VHBNSKKWQORDHM-TYISYKOQSA-N
• XLogP: 2.61
• TPSA: 133.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.53
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (7R)-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-4-[3-(6-methoxypyrimidin-4-yl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide?

The IUPAC name of (7R)-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-4-[3-(6-methoxypyrimidin-4-yl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide (CID 163294868) is (7R)-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-4-[3-(6-methoxypyrimidin-4-yl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide.

What is the SMILES notation for (7R)-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-4-[3-(6-methoxypyrimidin-4-yl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide?

The canonical SMILES for (7R)-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-4-[3-(6-methoxypyrimidin-4-yl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide is COc1cc(-c2cc(C(=O)N3CC[C@@H](C(=O)NC4CCC(O)(C(F)(F)F)CC4)CC34CC4)[nH]n2)ncn1.

What is the InChIKey of (7R)-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-4-[3-(6-methoxypyrimidin-4-yl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide?

The InChIKey is VHBNSKKWQORDHM-TYISYKOQSA-N. The full InChI is InChI=1S/C24H29F3N6O4/c1-37-19-11-16(28-13-29-19)17-10-18(32-31-17)21(35)33-9-4-14(12-22(33)7-8-22)20(34)30-15-2-5-23(36,6-3-15)24(25,26)27/h10-11,13-15,36H,2-9,12H2,1H3,(H,30,34)(H,31,32)/t14-,15?,23?/m1/s1.

What are the key properties of (7R)-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-4-[3-(6-methoxypyrimidin-4-yl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide?

(7R)-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-4-[3-(6-methoxypyrimidin-4-yl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 522.53 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-4-[3-(6-methoxypyrimidin-4-yl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 163294868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).