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

C24H26F3N7O2 — CID 167064895

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

4-[3-(6-cyanopyrimidin-4-yl)-1H-pyrazole-5-carbonyl]-N-[4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide (PubChem CID 167064895) has the molecular formula C24H26F3N7O2 and a molecular weight of 501.51 g/mol. Its IUPAC name is 4-[3-(6-cyanopyrimidin-4-yl)-1H-pyrazole-5-carbonyl]-N-[4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

• Compound Name: 4-[3-(6-cyanopyrimidin-4-yl)-1H-pyrazole-5-carbonyl]-N-[4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide
• PubChem CID: 167064895
• Molecular Formula: C24H26F3N7O2
• Molecular Weight: 501.51 g/mol
• Exact Mass: 501.21
• IUPAC Name: 4-[3-(6-cyanopyrimidin-4-yl)-1H-pyrazole-5-carbonyl]-N-[4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide
• SMILES: N#Cc1cc(-c2cc(C(=O)N3CCC(C(=O)NC4CCC(C(F)(F)F)CC4)CC34CC4)[nH]n2)ncn1
• InChI: InChI=1S/C24H26F3N7O2/c25-24(26,27)15-1-3-16(4-2-15)31-21(35)14-5-8-34(23(11-14)6-7-23)22(36)20-10-19(32-33-20)18-9-17(12-28)29-13-30-18/h9-10,13-16H,1-8,11H2,(H,31,35)(H,32,33)
• InChIKey: CWOREUVXFVWPGK-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 127.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.51
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[3-(6-cyanopyrimidin-4-yl)-1H-pyrazole-5-carbonyl]-N-[4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide (CID 167064895) is 4-[3-(6-cyanopyrimidin-4-yl)-1H-pyrazole-5-carbonyl]-N-[4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide.

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

The canonical SMILES for 4-[3-(6-cyanopyrimidin-4-yl)-1H-pyrazole-5-carbonyl]-N-[4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide is N#Cc1cc(-c2cc(C(=O)N3CCC(C(=O)NC4CCC(C(F)(F)F)CC4)CC34CC4)[nH]n2)ncn1.

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

The InChIKey is CWOREUVXFVWPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N7O2/c25-24(26,27)15-1-3-16(4-2-15)31-21(35)14-5-8-34(23(11-14)6-7-23)22(36)20-10-19(32-33-20)18-9-17(12-28)29-13-30-18/h9-10,13-16H,1-8,11H2,(H,31,35)(H,32,33).

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

4-[3-(6-cyanopyrimidin-4-yl)-1H-pyrazole-5-carbonyl]-N-[4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 501.51 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(6-cyanopyrimidin-4-yl)-1H-pyrazole-5-carbonyl]-N-[4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 167064895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).