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

C34H27F6N7O3 — CID 118533403

IUPAC5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(-n3ccc(C(F)(F)F)n3)cc2)oc2nc(-n3ccc(C(F)(F)F)n3)c(-c3cccc(C(=O)NC(C)(C)C)c3)cc12
InChIInChI=1S/C34H27F6N7O3/c1-32(2,3)43-29(48)20-7-5-6-19(16-20)22-17-23-26(30(49)41-4)27(50-31(23)42-28(22)47-15-13-25(45-47)34(38,39)40)18-8-10-21(11-9-18)46-14-12-24(44-46)33(35,36)37/h5-17H,1-4H3,(H,41,49)(H,43,48)
InChIKeyLXFROGUPTGVEBO-UHFFFAOYSA-N
MW695.62 g/mol
LogP7.46
Rot. Bonds6

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

5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide (PubChem CID 118533403) has the molecular formula C34H27F6N7O3 and a molecular weight of 695.62 g/mol. Its IUPAC name is 5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide
PubChem CID118533403
Molecular FormulaC34H27F6N7O3
Molecular Weight695.62 g/mol
Exact Mass695.21
IUPAC Name5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(-n3ccc(C(F)(F)F)n3)cc2)oc2nc(-n3ccc(C(F)(F)F)n3)c(-c3cccc(C(=O)NC(C)(C)C)c3)cc12
InChIInChI=1S/C34H27F6N7O3/c1-32(2,3)43-29(48)20-7-5-6-19(16-20)22-17-23-26(30(49)41-4)27(50-31(23)42-28(22)47-15-13-25(45-47)34(38,39)40)18-8-10-21(11-9-18)46-14-12-24(44-46)33(35,36)37/h5-17H,1-4H3,(H,41,49)(H,43,48)
InChIKeyLXFROGUPTGVEBO-UHFFFAOYSA-N
XLogP7.46
TPSA119.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.62
LogP ≤ 57.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide (CID 118533403) is 5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(-n3ccc(C(F)(F)F)n3)cc2)oc2nc(-n3ccc(C(F)(F)F)n3)c(-c3cccc(C(=O)NC(C)(C)C)c3)cc12.
What is the InChIKey of 5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is LXFROGUPTGVEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27F6N7O3/c1-32(2,3)43-29(48)20-7-5-6-19(16-20)22-17-23-26(30(49)41-4)27(50-31(23)42-28(22)47-15-13-25(45-47)34(38,39)40)18-8-10-21(11-9-18)46-14-12-24(44-46)33(35,36)37/h5-17H,1-4H3,(H,41,49)(H,43,48).
What are the key properties of 5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide?
5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 695.62 g/mol, XLogP of 7.46, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 118533403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).