N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-8-(4-fluorophenyl)-3,4-dimethyl-2,4-dihydropyrano[2,3-c]pyridin-6-yl]-2-hydroxypropyl]quinoline-6-carboxamide

C30H26F5N3O3 — CID 156872868

About N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-8-(4-fluorophenyl)-3,4-dimethyl-2,4-dihydropyrano[2,3-c]pyridin-6-yl]-2-hydroxypropyl]quinoline-6-carboxamide

N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-8-(4-fluorophenyl)-3,4-dimethyl-2,4-dihydropyrano[2,3-c]pyridin-6-yl]-2-hydroxypropyl]quinoline-6-carboxamide (PubChem CID 156872868) has the molecular formula C30H26F5N3O3 and a molecular weight of 571.55 g/mol. Its IUPAC name is N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-8-(4-fluorophenyl)-3,4-dimethyl-2,4-dihydropyrano[2,3-c]pyridin-6-yl]-2-hydroxypropyl]quinoline-6-carboxamide.

Molecular Properties

• Compound Name: N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-8-(4-fluorophenyl)-3,4-dimethyl-2,4-dihydropyrano[2,3-c]pyridin-6-yl]-2-hydroxypropyl]quinoline-6-carboxamide
• PubChem CID: 156872868
• Molecular Formula: C30H26F5N3O3
• Molecular Weight: 571.55 g/mol
• Exact Mass: 571.19
• IUPAC Name: N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-8-(4-fluorophenyl)-3,4-dimethyl-2,4-dihydropyrano[2,3-c]pyridin-6-yl]-2-hydroxypropyl]quinoline-6-carboxamide
• SMILES: CC1c2cc(C(O)(CNC(=O)c3ccc4ncccc4c3)C(F)(F)F)nc(-c3ccc(F)cc3)c2OCC1(C)CF
• InChI: InChI=1S/C30H26F5N3O3/c1-17-22-13-24(38-25(18-5-8-21(32)9-6-18)26(22)41-16-28(17,2)14-31)29(40,30(33,34)35)15-37-27(39)20-7-10-23-19(12-20)4-3-11-36-23/h3-13,17,40H,14-16H2,1-2H3,(H,37,39)
• InChIKey: JOBNNOZONLZBOC-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 84.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.55
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-8-(4-fluorophenyl)-3,4-dimethyl-2,4-dihydropyrano[2,3-c]pyridin-6-yl]-2-hydroxypropyl]quinoline-6-carboxamide?

The IUPAC name of N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-8-(4-fluorophenyl)-3,4-dimethyl-2,4-dihydropyrano[2,3-c]pyridin-6-yl]-2-hydroxypropyl]quinoline-6-carboxamide (CID 156872868) is N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-8-(4-fluorophenyl)-3,4-dimethyl-2,4-dihydropyrano[2,3-c]pyridin-6-yl]-2-hydroxypropyl]quinoline-6-carboxamide.

What is the SMILES notation for N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-8-(4-fluorophenyl)-3,4-dimethyl-2,4-dihydropyrano[2,3-c]pyridin-6-yl]-2-hydroxypropyl]quinoline-6-carboxamide?

The canonical SMILES for N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-8-(4-fluorophenyl)-3,4-dimethyl-2,4-dihydropyrano[2,3-c]pyridin-6-yl]-2-hydroxypropyl]quinoline-6-carboxamide is CC1c2cc(C(O)(CNC(=O)c3ccc4ncccc4c3)C(F)(F)F)nc(-c3ccc(F)cc3)c2OCC1(C)CF.

What is the InChIKey of N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-8-(4-fluorophenyl)-3,4-dimethyl-2,4-dihydropyrano[2,3-c]pyridin-6-yl]-2-hydroxypropyl]quinoline-6-carboxamide?

The InChIKey is JOBNNOZONLZBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F5N3O3/c1-17-22-13-24(38-25(18-5-8-21(32)9-6-18)26(22)41-16-28(17,2)14-31)29(40,30(33,34)35)15-37-27(39)20-7-10-23-19(12-20)4-3-11-36-23/h3-13,17,40H,14-16H2,1-2H3,(H,37,39).

What are the key properties of N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-8-(4-fluorophenyl)-3,4-dimethyl-2,4-dihydropyrano[2,3-c]pyridin-6-yl]-2-hydroxypropyl]quinoline-6-carboxamide?

N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-8-(4-fluorophenyl)-3,4-dimethyl-2,4-dihydropyrano[2,3-c]pyridin-6-yl]-2-hydroxypropyl]quinoline-6-carboxamide has a molecular weight of 571.55 g/mol, XLogP of 6.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-8-(4-fluorophenyl)-3,4-dimethyl-2,4-dihydropyrano[2,3-c]pyridin-6-yl]-2-hydroxypropyl]quinoline-6-carboxamide is sourced from PubChem (CID 156872868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).