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

C34H30F3N7O3 — CID 129033236

IUPAC5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(4-methylpyrazol-1-yl)phenyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(-n3cc(C)cn3)cc2)oc2nc(-n3ccc(C(F)(F)F)n3)c(-c3cccc(C(=O)NC(C)(C)C)c3)cc12
InChIInChI=1S/C34H30F3N7O3/c1-19-17-39-44(18-19)23-11-9-20(10-12-23)28-27(31(46)38-5)25-16-24(21-7-6-8-22(15-21)30(45)41-33(2,3)4)29(40-32(25)47-28)43-14-13-26(42-43)34(35,36)37/h6-18H,1-5H3,(H,38,46)(H,41,45)
InChIKeyNMLMKZSXJVBUMS-UHFFFAOYSA-N
MW641.65 g/mol
LogP6.75
Rot. Bonds6

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

5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(4-methylpyrazol-1-yl)phenyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide (PubChem CID 129033236) has the molecular formula C34H30F3N7O3 and a molecular weight of 641.65 g/mol. Its IUPAC name is 5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(4-methylpyrazol-1-yl)phenyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(4-methylpyrazol-1-yl)phenyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide
PubChem CID129033236
Molecular FormulaC34H30F3N7O3
Molecular Weight641.65 g/mol
Exact Mass641.24
IUPAC Name5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(4-methylpyrazol-1-yl)phenyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(-n3cc(C)cn3)cc2)oc2nc(-n3ccc(C(F)(F)F)n3)c(-c3cccc(C(=O)NC(C)(C)C)c3)cc12
InChIInChI=1S/C34H30F3N7O3/c1-19-17-39-44(18-19)23-11-9-20(10-12-23)28-27(31(46)38-5)25-16-24(21-7-6-8-22(15-21)30(45)41-33(2,3)4)29(40-32(25)47-28)43-14-13-26(42-43)34(35,36)37/h6-18H,1-5H3,(H,38,46)(H,41,45)
InChIKeyNMLMKZSXJVBUMS-UHFFFAOYSA-N
XLogP6.75
TPSA119.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.65
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(4-methylpyrazol-1-yl)phenyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(4-methylpyrazol-1-yl)phenyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide (CID 129033236) is 5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(4-methylpyrazol-1-yl)phenyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(4-methylpyrazol-1-yl)phenyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(4-methylpyrazol-1-yl)phenyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(-n3cc(C)cn3)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-2-[4-(4-methylpyrazol-1-yl)phenyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is NMLMKZSXJVBUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30F3N7O3/c1-19-17-39-44(18-19)23-11-9-20(10-12-23)28-27(31(46)38-5)25-16-24(21-7-6-8-22(15-21)30(45)41-33(2,3)4)29(40-32(25)47-28)43-14-13-26(42-43)34(35,36)37/h6-18H,1-5H3,(H,38,46)(H,41,45).
What are the key properties of 5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(4-methylpyrazol-1-yl)phenyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide?
5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(4-methylpyrazol-1-yl)phenyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 641.65 g/mol, XLogP of 6.75, 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-2-[4-(4-methylpyrazol-1-yl)phenyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 129033236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).