3-[cyclohexyl(methyl)amino]-5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]pyridine-2-carboxamide

C30H27F3N6O — CID 91346217

About 3-[cyclohexyl(methyl)amino]-5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]pyridine-2-carboxamide

3-[cyclohexyl(methyl)amino]-5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]pyridine-2-carboxamide (PubChem CID 91346217) has the molecular formula C30H27F3N6O and a molecular weight of 544.58 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)amino]-5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[cyclohexyl(methyl)amino]-5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]pyridine-2-carboxamide
• PubChem CID: 91346217
• Molecular Formula: C30H27F3N6O
• Molecular Weight: 544.58 g/mol
• Exact Mass: 544.22
• IUPAC Name: 3-[cyclohexyl(methyl)amino]-5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]pyridine-2-carboxamide
• SMILES: CN(c1cc(-n2nc(C(F)(F)F)c3c(-c4cnc5ccccc5c4)cccc32)cnc1C(N)=O)C1CCCCC1
• InChI: InChI=1S/C30H27F3N6O/c1-38(20-9-3-2-4-10-20)25-15-21(17-36-27(25)29(34)40)39-24-13-7-11-22(26(24)28(37-39)30(31,32)33)19-14-18-8-5-6-12-23(18)35-16-19/h5-8,11-17,20H,2-4,9-10H2,1H3,(H2,34,40)
• InChIKey: DPLRIJGYVBSFCC-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 89.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.58
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methyl)amino]-5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]pyridine-2-carboxamide?

The IUPAC name of 3-[cyclohexyl(methyl)amino]-5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]pyridine-2-carboxamide (CID 91346217) is 3-[cyclohexyl(methyl)amino]-5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]pyridine-2-carboxamide.

What is the SMILES notation for 3-[cyclohexyl(methyl)amino]-5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]pyridine-2-carboxamide?

The canonical SMILES for 3-[cyclohexyl(methyl)amino]-5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]pyridine-2-carboxamide is CN(c1cc(-n2nc(C(F)(F)F)c3c(-c4cnc5ccccc5c4)cccc32)cnc1C(N)=O)C1CCCCC1.

What is the InChIKey of 3-[cyclohexyl(methyl)amino]-5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]pyridine-2-carboxamide?

The InChIKey is DPLRIJGYVBSFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F3N6O/c1-38(20-9-3-2-4-10-20)25-15-21(17-36-27(25)29(34)40)39-24-13-7-11-22(26(24)28(37-39)30(31,32)33)19-14-18-8-5-6-12-23(18)35-16-19/h5-8,11-17,20H,2-4,9-10H2,1H3,(H2,34,40).

What are the key properties of 3-[cyclohexyl(methyl)amino]-5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]pyridine-2-carboxamide?

3-[cyclohexyl(methyl)amino]-5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]pyridine-2-carboxamide has a molecular weight of 544.58 g/mol, XLogP of 6.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[cyclohexyl(methyl)amino]-5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 91346217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).