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

C34H32F3N7O3 — CID 144964470

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

5-[3-(tert-butylcarbamoyl)phenyl]-2-[4-[[(Z)-3-iminobut-1-enyl]amino]phenyl]-N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide (PubChem CID 144964470) has the molecular formula C34H32F3N7O3 and a molecular weight of 643.67 g/mol. Its IUPAC name is 5-[3-(tert-butylcarbamoyl)phenyl]-2-[4-[[(Z)-3-iminobut-1-enyl]amino]phenyl]-N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[3-(tert-butylcarbamoyl)phenyl]-2-[4-[[(Z)-3-iminobut-1-enyl]amino]phenyl]-N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 144964470
• Molecular Formula: C34H32F3N7O3
• Molecular Weight: 643.67 g/mol
• Exact Mass: 643.25
• IUPAC Name: 5-[3-(tert-butylcarbamoyl)phenyl]-2-[4-[[(Z)-3-iminobut-1-enyl]amino]phenyl]-N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide
• SMILES: [H]/N=C(C)/C=C\Nc1ccc(-c2oc3nc(-n4ccc(C(F)(F)F)n4)c(-c4cccc(C(=O)NC(C)(C)C)c4)cc3c2C(=O)NC)cc1
• InChI: InChI=1S/C34H32F3N7O3/c1-19(38)13-15-40-23-11-9-20(10-12-23)28-27(31(46)39-5)25-18-24(21-7-6-8-22(17-21)30(45)42-33(2,3)4)29(41-32(25)47-28)44-16-14-26(43-44)34(35,36)37/h6-18,38,40H,1-5H3,(H,39,46)(H,42,45)/b15-13-,38-19+
• InChIKey: JAOGGPFOAYEFBT-LEQMOGFUSA-N
• XLogP: 7.22
• TPSA: 137.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	643.67
LogP ≤ 5	7.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-(tert-butylcarbamoyl)phenyl]-2-[4-[[(Z)-3-iminobut-1-enyl]amino]phenyl]-N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide?

The IUPAC name of 5-[3-(tert-butylcarbamoyl)phenyl]-2-[4-[[(Z)-3-iminobut-1-enyl]amino]phenyl]-N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide (CID 144964470) is 5-[3-(tert-butylcarbamoyl)phenyl]-2-[4-[[(Z)-3-iminobut-1-enyl]amino]phenyl]-N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for 5-[3-(tert-butylcarbamoyl)phenyl]-2-[4-[[(Z)-3-iminobut-1-enyl]amino]phenyl]-N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for 5-[3-(tert-butylcarbamoyl)phenyl]-2-[4-[[(Z)-3-iminobut-1-enyl]amino]phenyl]-N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide is [H]/N=C(C)/C=C\Nc1ccc(-c2oc3nc(-n4ccc(C(F)(F)F)n4)c(-c4cccc(C(=O)NC(C)(C)C)c4)cc3c2C(=O)NC)cc1.

What is the InChIKey of 5-[3-(tert-butylcarbamoyl)phenyl]-2-[4-[[(Z)-3-iminobut-1-enyl]amino]phenyl]-N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide?

The InChIKey is JAOGGPFOAYEFBT-LEQMOGFUSA-N. The full InChI is InChI=1S/C34H32F3N7O3/c1-19(38)13-15-40-23-11-9-20(10-12-23)28-27(31(46)39-5)25-18-24(21-7-6-8-22(17-21)30(45)42-33(2,3)4)29(41-32(25)47-28)44-16-14-26(43-44)34(35,36)37/h6-18,38,40H,1-5H3,(H,39,46)(H,42,45)/b15-13-,38-19+.

What are the key properties of 5-[3-(tert-butylcarbamoyl)phenyl]-2-[4-[[(Z)-3-iminobut-1-enyl]amino]phenyl]-N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide?

5-[3-(tert-butylcarbamoyl)phenyl]-2-[4-[[(Z)-3-iminobut-1-enyl]amino]phenyl]-N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 643.67 g/mol, XLogP of 7.22, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(tert-butylcarbamoyl)phenyl]-2-[4-[[(Z)-3-iminobut-1-enyl]amino]phenyl]-N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 144964470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).