N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(1-methylpyrazol-3-yl)pyridine-3-carboxamide

C24H19F2N7O2S — CID 171490645

About N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(1-methylpyrazol-3-yl)pyridine-3-carboxamide

N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(1-methylpyrazol-3-yl)pyridine-3-carboxamide (PubChem CID 171490645) has the molecular formula C24H19F2N7O2S and a molecular weight of 507.53 g/mol. Its IUPAC name is N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(1-methylpyrazol-3-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(1-methylpyrazol-3-yl)pyridine-3-carboxamide
• PubChem CID: 171490645
• Molecular Formula: C24H19F2N7O2S
• Molecular Weight: 507.53 g/mol
• Exact Mass: 507.13
• IUPAC Name: N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(1-methylpyrazol-3-yl)pyridine-3-carboxamide
• SMILES: COc1cnc(C(F)F)cc1-c1cc(-c2ccn(C)n2)ncc1C(=O)Nc1nnc(C#CC2CC2)s1
• InChI: InChI=1S/C24H19F2N7O2S/c1-33-8-7-17(32-33)18-9-14(15-10-19(22(25)26)28-12-20(15)35-2)16(11-27-18)23(34)29-24-31-30-21(36-24)6-5-13-3-4-13/h7-13,22H,3-4H2,1-2H3,(H,29,31,34)
• InChIKey: GSOUEPGHLLFNOU-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 107.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.53
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(1-methylpyrazol-3-yl)pyridine-3-carboxamide?

The IUPAC name of N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(1-methylpyrazol-3-yl)pyridine-3-carboxamide (CID 171490645) is N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(1-methylpyrazol-3-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(1-methylpyrazol-3-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(1-methylpyrazol-3-yl)pyridine-3-carboxamide is COc1cnc(C(F)F)cc1-c1cc(-c2ccn(C)n2)ncc1C(=O)Nc1nnc(C#CC2CC2)s1.

What is the InChIKey of N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(1-methylpyrazol-3-yl)pyridine-3-carboxamide?

The InChIKey is GSOUEPGHLLFNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N7O2S/c1-33-8-7-17(32-33)18-9-14(15-10-19(22(25)26)28-12-20(15)35-2)16(11-27-18)23(34)29-24-31-30-21(36-24)6-5-13-3-4-13/h7-13,22H,3-4H2,1-2H3,(H,29,31,34).

What are the key properties of N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(1-methylpyrazol-3-yl)pyridine-3-carboxamide?

N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(1-methylpyrazol-3-yl)pyridine-3-carboxamide has a molecular weight of 507.53 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(1-methylpyrazol-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 171490645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).