N-methyl-5-[3-(methylcarbamoyl)phenyl]-2-[4-(3-methylpyrazol-1-yl)phenyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide

C31H24F3N7O3 — CID 123288907

About N-methyl-5-[3-(methylcarbamoyl)phenyl]-2-[4-(3-methylpyrazol-1-yl)phenyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide

N-methyl-5-[3-(methylcarbamoyl)phenyl]-2-[4-(3-methylpyrazol-1-yl)phenyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide (PubChem CID 123288907) has the molecular formula C31H24F3N7O3 and a molecular weight of 599.57 g/mol. Its IUPAC name is N-methyl-5-[3-(methylcarbamoyl)phenyl]-2-[4-(3-methylpyrazol-1-yl)phenyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-methyl-5-[3-(methylcarbamoyl)phenyl]-2-[4-(3-methylpyrazol-1-yl)phenyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 123288907
• Molecular Formula: C31H24F3N7O3
• Molecular Weight: 599.57 g/mol
• Exact Mass: 599.19
• IUPAC Name: N-methyl-5-[3-(methylcarbamoyl)phenyl]-2-[4-(3-methylpyrazol-1-yl)phenyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide
• SMILES: CNC(=O)c1cccc(-c2cc3c(C(=O)NC)c(-c4ccc(-n5ccc(C)n5)cc4)oc3nc2-n2ccc(C(F)(F)F)n2)c1
• InChI: InChI=1S/C31H24F3N7O3/c1-17-11-13-40(38-17)21-9-7-18(8-10-21)26-25(29(43)36-3)23-16-22(19-5-4-6-20(15-19)28(42)35-2)27(37-30(23)44-26)41-14-12-24(39-41)31(32,33)34/h4-16H,1-3H3,(H,35,42)(H,36,43)
• InChIKey: BXSYRDGEHSRQIJ-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 119.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	599.57
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[3-(methylcarbamoyl)phenyl]-2-[4-(3-methylpyrazol-1-yl)phenyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide?

The IUPAC name of N-methyl-5-[3-(methylcarbamoyl)phenyl]-2-[4-(3-methylpyrazol-1-yl)phenyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide (CID 123288907) is N-methyl-5-[3-(methylcarbamoyl)phenyl]-2-[4-(3-methylpyrazol-1-yl)phenyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for N-methyl-5-[3-(methylcarbamoyl)phenyl]-2-[4-(3-methylpyrazol-1-yl)phenyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for N-methyl-5-[3-(methylcarbamoyl)phenyl]-2-[4-(3-methylpyrazol-1-yl)phenyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide is CNC(=O)c1cccc(-c2cc3c(C(=O)NC)c(-c4ccc(-n5ccc(C)n5)cc4)oc3nc2-n2ccc(C(F)(F)F)n2)c1.

What is the InChIKey of N-methyl-5-[3-(methylcarbamoyl)phenyl]-2-[4-(3-methylpyrazol-1-yl)phenyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide?

The InChIKey is BXSYRDGEHSRQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F3N7O3/c1-17-11-13-40(38-17)21-9-7-18(8-10-21)26-25(29(43)36-3)23-16-22(19-5-4-6-20(15-19)28(42)35-2)27(37-30(23)44-26)41-14-12-24(39-41)31(32,33)34/h4-16H,1-3H3,(H,35,42)(H,36,43).

What are the key properties of N-methyl-5-[3-(methylcarbamoyl)phenyl]-2-[4-(3-methylpyrazol-1-yl)phenyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide?

N-methyl-5-[3-(methylcarbamoyl)phenyl]-2-[4-(3-methylpyrazol-1-yl)phenyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 599.57 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-5-[3-(methylcarbamoyl)phenyl]-2-[4-(3-methylpyrazol-1-yl)phenyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 123288907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).