1-cyclobutyl-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine

C32H30F4N8 — CID 177367935

About 1-cyclobutyl-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine

1-cyclobutyl-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine (PubChem CID 177367935) has the molecular formula C32H30F4N8 and a molecular weight of 602.64 g/mol. Its IUPAC name is 1-cyclobutyl-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine.

Molecular Properties

• Compound Name: 1-cyclobutyl-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine
• PubChem CID: 177367935
• Molecular Formula: C32H30F4N8
• Molecular Weight: 602.64 g/mol
• Exact Mass: 602.25
• IUPAC Name: 1-cyclobutyl-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine
• SMILES: Cn1cnnc1-c1cc(F)ccc1-c1cc(C2CC2)nc(-n2cc(-c3nc(CNCC4CCC4)ccc3C(F)(F)F)cn2)c1
• InChI: InChI=1S/C32H30F4N8/c1-43-18-38-42-31(43)26-13-23(33)7-9-25(26)21-11-28(20-5-6-20)41-29(12-21)44-17-22(15-39-44)30-27(32(34,35)36)10-8-24(40-30)16-37-14-19-3-2-4-19/h7-13,15,17-20,37H,2-6,14,16H2,1H3
• InChIKey: ZYKFYNUDRQBZRT-UHFFFAOYSA-N
• XLogP: 6.72
• TPSA: 86.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.64
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine?

The IUPAC name of 1-cyclobutyl-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine (CID 177367935) is 1-cyclobutyl-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine.

What is the SMILES notation for 1-cyclobutyl-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine?

The canonical SMILES for 1-cyclobutyl-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine is Cn1cnnc1-c1cc(F)ccc1-c1cc(C2CC2)nc(-n2cc(-c3nc(CNCC4CCC4)ccc3C(F)(F)F)cn2)c1.

What is the InChIKey of 1-cyclobutyl-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine?

The InChIKey is ZYKFYNUDRQBZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F4N8/c1-43-18-38-42-31(43)26-13-23(33)7-9-25(26)21-11-28(20-5-6-20)41-29(12-21)44-17-22(15-39-44)30-27(32(34,35)36)10-8-24(40-30)16-37-14-19-3-2-4-19/h7-13,15,17-20,37H,2-6,14,16H2,1H3.

What are the key properties of 1-cyclobutyl-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine?

1-cyclobutyl-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine has a molecular weight of 602.64 g/mol, XLogP of 6.72, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclobutyl-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine is sourced from PubChem (CID 177367935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).