N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C23H20F7N5O3 — CID 122503109

About N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 122503109) has the molecular formula C23H20F7N5O3 and a molecular weight of 547.43 g/mol. Its IUPAC name is N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
• PubChem CID: 122503109
• Molecular Formula: C23H20F7N5O3
• Molecular Weight: 547.43 g/mol
• Exact Mass: 547.15
• IUPAC Name: N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
• SMILES: Cn1nc(C(F)(F)F)cc1C(=O)NCC(O)(c1cc2c(c(-c3ccc(F)cc3)n1)OCC2(C)N)C(F)(F)F
• InChI: InChI=1S/C23H20F7N5O3/c1-20(31)10-38-18-13(20)7-15(33-17(18)11-3-5-12(24)6-4-11)21(37,23(28,29)30)9-32-19(36)14-8-16(22(25,26)27)34-35(14)2/h3-8,37H,9-10,31H2,1-2H3,(H,32,36)
• InChIKey: PIDJHUNCUFZOTE-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 115.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.43
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?

The IUPAC name of N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 122503109) is N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

What is the SMILES notation for N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?

The canonical SMILES for N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)NCC(O)(c1cc2c(c(-c3ccc(F)cc3)n1)OCC2(C)N)C(F)(F)F.

What is the InChIKey of N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?

The InChIKey is PIDJHUNCUFZOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F7N5O3/c1-20(31)10-38-18-13(20)7-15(33-17(18)11-3-5-12(24)6-4-11)21(37,23(28,29)30)9-32-19(36)14-8-16(22(25,26)27)34-35(14)2/h3-8,37H,9-10,31H2,1-2H3,(H,32,36).

What are the key properties of N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?

N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 547.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 122503109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).