6-[(Z)-1-amino-3-methyliminoprop-1-enyl]-N-[5-[(2R)-2-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]pyridine-3-carboxamide

C28H24ClF2N7O2S — CID 175679718

About 6-[(Z)-1-amino-3-methyliminoprop-1-enyl]-N-[5-[(2R)-2-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]pyridine-3-carboxamide

6-[(Z)-1-amino-3-methyliminoprop-1-enyl]-N-[5-[(2R)-2-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]pyridine-3-carboxamide (PubChem CID 175679718) has the molecular formula C28H24ClF2N7O2S and a molecular weight of 596.06 g/mol. Its IUPAC name is 6-[(Z)-1-amino-3-methyliminoprop-1-enyl]-N-[5-[(2R)-2-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(Z)-1-amino-3-methyliminoprop-1-enyl]-N-[5-[(2R)-2-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]pyridine-3-carboxamide
• PubChem CID: 175679718
• Molecular Formula: C28H24ClF2N7O2S
• Molecular Weight: 596.06 g/mol
• Exact Mass: 595.14
• IUPAC Name: 6-[(Z)-1-amino-3-methyliminoprop-1-enyl]-N-[5-[(2R)-2-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]pyridine-3-carboxamide
• SMILES: C/N=C/C=C(\N)c1cc(-c2cc(C(F)F)ncc2OC)c(C(=O)Nc2nnc(C3C[C@H]3c3ccc(Cl)cc3)s2)cn1
• InChI: InChI=1S/C28H24ClF2N7O2S/c1-33-8-7-21(32)22-10-17(18-11-23(25(30)31)35-13-24(18)40-2)20(12-34-22)26(39)36-28-38-37-27(41-28)19-9-16(19)14-3-5-15(29)6-4-14/h3-8,10-13,16,19,25H,9,32H2,1-2H3,(H,36,38,39)/b21-7-,33-8+/t16-,19?/m0/s1
• InChIKey: IQRUIQWMKXGEBX-CKDZOZLYSA-N
• XLogP: 6.12
• TPSA: 128.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.06
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-1-amino-3-methyliminoprop-1-enyl]-N-[5-[(2R)-2-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]pyridine-3-carboxamide?

The IUPAC name of 6-[(Z)-1-amino-3-methyliminoprop-1-enyl]-N-[5-[(2R)-2-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]pyridine-3-carboxamide (CID 175679718) is 6-[(Z)-1-amino-3-methyliminoprop-1-enyl]-N-[5-[(2R)-2-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[(Z)-1-amino-3-methyliminoprop-1-enyl]-N-[5-[(2R)-2-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]pyridine-3-carboxamide?

The canonical SMILES for 6-[(Z)-1-amino-3-methyliminoprop-1-enyl]-N-[5-[(2R)-2-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]pyridine-3-carboxamide is C/N=C/C=C(\N)c1cc(-c2cc(C(F)F)ncc2OC)c(C(=O)Nc2nnc(C3C[C@H]3c3ccc(Cl)cc3)s2)cn1.

What is the InChIKey of 6-[(Z)-1-amino-3-methyliminoprop-1-enyl]-N-[5-[(2R)-2-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]pyridine-3-carboxamide?

The InChIKey is IQRUIQWMKXGEBX-CKDZOZLYSA-N. The full InChI is InChI=1S/C28H24ClF2N7O2S/c1-33-8-7-21(32)22-10-17(18-11-23(25(30)31)35-13-24(18)40-2)20(12-34-22)26(39)36-28-38-37-27(41-28)19-9-16(19)14-3-5-15(29)6-4-14/h3-8,10-13,16,19,25H,9,32H2,1-2H3,(H,36,38,39)/b21-7-,33-8+/t16-,19?/m0/s1.

What are the key properties of 6-[(Z)-1-amino-3-methyliminoprop-1-enyl]-N-[5-[(2R)-2-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]pyridine-3-carboxamide?

6-[(Z)-1-amino-3-methyliminoprop-1-enyl]-N-[5-[(2R)-2-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]pyridine-3-carboxamide has a molecular weight of 596.06 g/mol, XLogP of 6.12, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(Z)-1-amino-3-methyliminoprop-1-enyl]-N-[5-[(2R)-2-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 175679718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).