N-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide

C27H25F6N5O4 — CID 10304079

About N-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide

N-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide (PubChem CID 10304079) has the molecular formula C27H25F6N5O4 and a molecular weight of 597.52 g/mol. Its IUPAC name is N-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide
• PubChem CID: 10304079
• Molecular Formula: C27H25F6N5O4
• Molecular Weight: 597.52 g/mol
• Exact Mass: 597.18
• IUPAC Name: N-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide
• SMILES: COCCOCCOC(c1ccc(NC(=O)c2cccnc2Nc2ccc3cn[nH]c3c2)cc1)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C27H25F6N5O4/c1-40-11-12-41-13-14-42-25(26(28,29)30,27(31,32)33)18-5-8-19(9-6-18)37-24(39)21-3-2-10-34-23(21)36-20-7-4-17-16-35-38-22(17)15-20/h2-10,15-16H,11-14H2,1H3,(H,34,36)(H,35,38)(H,37,39)
• InChIKey: BIIJZBFZFJGYRK-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 110.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.52
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide?

The IUPAC name of N-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide (CID 10304079) is N-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide.

What is the SMILES notation for N-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide?

The canonical SMILES for N-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide is COCCOCCOC(c1ccc(NC(=O)c2cccnc2Nc2ccc3cn[nH]c3c2)cc1)(C(F)(F)F)C(F)(F)F.

What is the InChIKey of N-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide?

The InChIKey is BIIJZBFZFJGYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F6N5O4/c1-40-11-12-41-13-14-42-25(26(28,29)30,27(31,32)33)18-5-8-19(9-6-18)37-24(39)21-3-2-10-34-23(21)36-20-7-4-17-16-35-38-22(17)15-20/h2-10,15-16H,11-14H2,1H3,(H,34,36)(H,35,38)(H,37,39).

What are the key properties of N-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide?

N-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide has a molecular weight of 597.52 g/mol, XLogP of 5.95, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 10304079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).