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

C66H64F6N10O6 — CID 144964468

IUPAC5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(4-methylimidazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(3-methylpyrazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(-n3ccc(C)n3)cc2)oc2nc(CCC(F)(F)F)c(-c3cccc(C(=O)NC(C)(C)C)c3)cc12.CNC(=O)c1c(-c2ccc(-n3cnc(C)c3)cc2)oc2nc(CCC(F)(F)F)c(-c3cccc(C(=O)NC(C)(C)C)c3)cc12
InChIInChI=1S/2C33H32F3N5O3/c1-19-14-16-41(40-19)23-11-9-20(10-12-23)28-27(30(43)37-5)25-18-24(26(38-31(25)44-28)13-15-33(34,35)36)21-7-6-8-22(17-21)29(42)39-32(2,3)4;1-19-17-41(18-38-19)23-11-9-20(10-12-23)28-27(30(43)37-5)25-16-24(26(39-31(25)44-28)13-14-33(34,35)36)21-7-6-8-22(15-21)29(42)40-32(2,3)4/h6-12,14,16-18H,13,15H2,1-5H3,(H,37,43)(H,39,42);6-12,15-18H,13-14H2,1-5H3,(H,37,43)(H,40,42)
InChIKeyPTCOHYYSXFXCTN-UHFFFAOYSA-N
MW1207.29 g/mol
LogP14.08
Rot. Bonds14

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

5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(4-methylimidazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(3-methylpyrazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 144964468) has the molecular formula C66H64F6N10O6 and a molecular weight of 1207.29 g/mol. Its IUPAC name is 5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(4-methylimidazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(3-methylpyrazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(4-methylimidazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(3-methylpyrazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
PubChem CID144964468
Molecular FormulaC66H64F6N10O6
Molecular Weight1207.29 g/mol
Exact Mass1206.49
IUPAC Name5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(4-methylimidazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(3-methylpyrazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(-n3ccc(C)n3)cc2)oc2nc(CCC(F)(F)F)c(-c3cccc(C(=O)NC(C)(C)C)c3)cc12.CNC(=O)c1c(-c2ccc(-n3cnc(C)c3)cc2)oc2nc(CCC(F)(F)F)c(-c3cccc(C(=O)NC(C)(C)C)c3)cc12
InChIInChI=1S/2C33H32F3N5O3/c1-19-14-16-41(40-19)23-11-9-20(10-12-23)28-27(30(43)37-5)25-18-24(26(38-31(25)44-28)13-15-33(34,35)36)21-7-6-8-22(17-21)29(42)39-32(2,3)4;1-19-17-41(18-38-19)23-11-9-20(10-12-23)28-27(30(43)37-5)25-16-24(26(39-31(25)44-28)13-14-33(34,35)36)21-7-6-8-22(15-21)29(42)40-32(2,3)4/h6-12,14,16-18H,13,15H2,1-5H3,(H,37,43)(H,39,42);6-12,15-18H,13-14H2,1-5H3,(H,37,43)(H,40,42)
InChIKeyPTCOHYYSXFXCTN-UHFFFAOYSA-N
XLogP14.08
TPSA204.10 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001207.29
LogP ≤ 514.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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

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Related Compounds

1-(4-fluorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)-5-(4-piperazin-1-ylphenyl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide
CID 170950470
1-(4-fluorophenyl)-N-[4-[5-[3-(4-methylpiperazin-1-yl)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide
CID 174313280
1-(4-fluorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)-5-(3-piperazin-1-ylphenyl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide
CID 177374223
1-(4-fluorophenyl)-N-[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide
CID 177374224
2-(1-ethylpyrazol-4-yl)-5-[15-fluoro-9-[(3-fluoroazetidin-1-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 78318463
5-[3-[(1-cyano-1-pyrimidin-4-ylethyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 118391944
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
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
5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(4-methylimidazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 118533404
5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(3-methyl-1,2,4-triazol-4-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 118533405
5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(3-methylpyrazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 118533406
5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(5-methyl-1,2,4-triazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 118533407

Frequently Asked Questions

What is the IUPAC name of 5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(4-methylimidazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(3-methylpyrazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(4-methylimidazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(3-methylpyrazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide (CID 144964468) is 5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(4-methylimidazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(3-methylpyrazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(4-methylimidazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(3-methylpyrazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(4-methylimidazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(3-methylpyrazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(-n3ccc(C)n3)cc2)oc2nc(CCC(F)(F)F)c(-c3cccc(C(=O)NC(C)(C)C)c3)cc12.CNC(=O)c1c(-c2ccc(-n3cnc(C)c3)cc2)oc2nc(CCC(F)(F)F)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-methylimidazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(3-methylpyrazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is PTCOHYYSXFXCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H32F3N5O3/c1-19-14-16-41(40-19)23-11-9-20(10-12-23)28-27(30(43)37-5)25-18-24(26(38-31(25)44-28)13-15-33(34,35)36)21-7-6-8-22(17-21)29(42)39-32(2,3)4;1-19-17-41(18-38-19)23-11-9-20(10-12-23)28-27(30(43)37-5)25-16-24(26(39-31(25)44-28)13-14-33(34,35)36)21-7-6-8-22(15-21)29(42)40-32(2,3)4/h6-12,14,16-18H,13,15H2,1-5H3,(H,37,43)(H,39,42);6-12,15-18H,13-14H2,1-5H3,(H,37,43)(H,40,42).
What are the key properties of 5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(4-methylimidazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(3-methylpyrazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?
5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(4-methylimidazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(3-methylpyrazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 1207.29 g/mol, XLogP of 14.08, 14 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(4-methylimidazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(3-methylpyrazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 144964468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).