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

C34H27F6N7O3 — CID 118533400

IUPAC5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(-n3cc(C(F)(F)F)cn3)cc2)oc2nc(-n3cc(C(F)(F)F)cn3)c(-c3cccc(C(=O)NC(C)(C)C)c3)cc12
InChIInChI=1S/C34H27F6N7O3/c1-32(2,3)45-29(48)20-7-5-6-19(12-20)24-13-25-26(30(49)41-4)27(50-31(25)44-28(24)47-17-22(15-43-47)34(38,39)40)18-8-10-23(11-9-18)46-16-21(14-42-46)33(35,36)37/h5-17H,1-4H3,(H,41,49)(H,45,48)
InChIKeyKUZBMTFNODWYQX-UHFFFAOYSA-N
MW695.62 g/mol
LogP7.46
Rot. Bonds6

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

5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide (PubChem CID 118533400) 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-[4-(trifluoromethyl)pyrazol-1-yl]-2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide
PubChem CID118533400
Molecular FormulaC34H27F6N7O3
Molecular Weight695.62 g/mol
Exact Mass695.21
IUPAC Name5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(-n3cc(C(F)(F)F)cn3)cc2)oc2nc(-n3cc(C(F)(F)F)cn3)c(-c3cccc(C(=O)NC(C)(C)C)c3)cc12
InChIInChI=1S/C34H27F6N7O3/c1-32(2,3)45-29(48)20-7-5-6-19(12-20)24-13-25-26(30(49)41-4)27(50-31(25)44-28(24)47-17-22(15-43-47)34(38,39)40)18-8-10-23(11-9-18)46-16-21(14-42-46)33(35,36)37/h5-17H,1-4H3,(H,41,49)(H,45,48)
InChIKeyKUZBMTFNODWYQX-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-[4-(trifluoromethyl)pyrazol-1-yl]-2-[4-[4-(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-[4-(trifluoromethyl)pyrazol-1-yl]-2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide (CID 118533400) is 5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-2-[4-[4-(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-[4-(trifluoromethyl)pyrazol-1-yl]-2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(-n3cc(C(F)(F)F)cn3)cc2)oc2nc(-n3cc(C(F)(F)F)cn3)c(-c3cccc(C(=O)NC(C)(C)C)c3)cc12.
What is the InChIKey of 5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is KUZBMTFNODWYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27F6N7O3/c1-32(2,3)45-29(48)20-7-5-6-19(12-20)24-13-25-26(30(49)41-4)27(50-31(25)44-28(24)47-17-22(15-43-47)34(38,39)40)18-8-10-23(11-9-18)46-16-21(14-42-46)33(35,36)37/h5-17H,1-4H3,(H,41,49)(H,45,48).
What are the key properties of 5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide?
5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-2-[4-[4-(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-[4-(trifluoromethyl)pyrazol-1-yl]-2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 118533400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).