N-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(2-fluoro-1,2-dimethylcyclopropyl)methoxy]pyrazol-1-yl]-2-(3,5,5-trimethyl-2H-pyrrol-1-yl)pyridine-3-carboxamide

C27H34FN7O4S — CID 170400457

About N-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(2-fluoro-1,2-dimethylcyclopropyl)methoxy]pyrazol-1-yl]-2-(3,5,5-trimethyl-2H-pyrrol-1-yl)pyridine-3-carboxamide

N-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(2-fluoro-1,2-dimethylcyclopropyl)methoxy]pyrazol-1-yl]-2-(3,5,5-trimethyl-2H-pyrrol-1-yl)pyridine-3-carboxamide (PubChem CID 170400457) has the molecular formula C27H34FN7O4S and a molecular weight of 571.68 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(2-fluoro-1,2-dimethylcyclopropyl)methoxy]pyrazol-1-yl]-2-(3,5,5-trimethyl-2H-pyrrol-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(2-fluoro-1,2-dimethylcyclopropyl)methoxy]pyrazol-1-yl]-2-(3,5,5-trimethyl-2H-pyrrol-1-yl)pyridine-3-carboxamide
• PubChem CID: 170400457
• Molecular Formula: C27H34FN7O4S
• Molecular Weight: 571.68 g/mol
• Exact Mass: 571.24
• IUPAC Name: N-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(2-fluoro-1,2-dimethylcyclopropyl)methoxy]pyrazol-1-yl]-2-(3,5,5-trimethyl-2H-pyrrol-1-yl)pyridine-3-carboxamide
• SMILES: CC1=CC(C)(C)N(c2nc(-n3ccc(OCC4(C)CC4(C)F)n3)ccc2C(=O)NS(=O)(=O)c2cnn(C)c2C)C1
• InChI: InChI=1S/C27H34FN7O4S/c1-17-12-25(3,4)34(14-17)23-19(24(36)32-40(37,38)20-13-29-33(7)18(20)2)8-9-21(30-23)35-11-10-22(31-35)39-16-26(5)15-27(26,6)28/h8-13H,14-16H2,1-7H3,(H,32,36)
• InChIKey: NGTYQBPEPYMMEX-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 124.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.68
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(2-fluoro-1,2-dimethylcyclopropyl)methoxy]pyrazol-1-yl]-2-(3,5,5-trimethyl-2H-pyrrol-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(2-fluoro-1,2-dimethylcyclopropyl)methoxy]pyrazol-1-yl]-2-(3,5,5-trimethyl-2H-pyrrol-1-yl)pyridine-3-carboxamide (CID 170400457) is N-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(2-fluoro-1,2-dimethylcyclopropyl)methoxy]pyrazol-1-yl]-2-(3,5,5-trimethyl-2H-pyrrol-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(2-fluoro-1,2-dimethylcyclopropyl)methoxy]pyrazol-1-yl]-2-(3,5,5-trimethyl-2H-pyrrol-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(2-fluoro-1,2-dimethylcyclopropyl)methoxy]pyrazol-1-yl]-2-(3,5,5-trimethyl-2H-pyrrol-1-yl)pyridine-3-carboxamide is CC1=CC(C)(C)N(c2nc(-n3ccc(OCC4(C)CC4(C)F)n3)ccc2C(=O)NS(=O)(=O)c2cnn(C)c2C)C1.

What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(2-fluoro-1,2-dimethylcyclopropyl)methoxy]pyrazol-1-yl]-2-(3,5,5-trimethyl-2H-pyrrol-1-yl)pyridine-3-carboxamide?

The InChIKey is NGTYQBPEPYMMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN7O4S/c1-17-12-25(3,4)34(14-17)23-19(24(36)32-40(37,38)20-13-29-33(7)18(20)2)8-9-21(30-23)35-11-10-22(31-35)39-16-26(5)15-27(26,6)28/h8-13H,14-16H2,1-7H3,(H,32,36).

What are the key properties of N-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(2-fluoro-1,2-dimethylcyclopropyl)methoxy]pyrazol-1-yl]-2-(3,5,5-trimethyl-2H-pyrrol-1-yl)pyridine-3-carboxamide?

N-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(2-fluoro-1,2-dimethylcyclopropyl)methoxy]pyrazol-1-yl]-2-(3,5,5-trimethyl-2H-pyrrol-1-yl)pyridine-3-carboxamide has a molecular weight of 571.68 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(2-fluoro-1,2-dimethylcyclopropyl)methoxy]pyrazol-1-yl]-2-(3,5,5-trimethyl-2H-pyrrol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 170400457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).