N-[2-[6-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethoxy-4-methyl-2-pyridinyl]-2-cyclopropylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide;formamide

C33H35ClF3N5O4 — CID 169240898

About N-[2-[6-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethoxy-4-methyl-2-pyridinyl]-2-cyclopropylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide;formamide

N-[2-[6-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethoxy-4-methyl-2-pyridinyl]-2-cyclopropylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide;formamide (PubChem CID 169240898) has the molecular formula C33H35ClF3N5O4 and a molecular weight of 658.12 g/mol. Its IUPAC name is N-[2-[6-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethoxy-4-methyl-2-pyridinyl]-2-cyclopropylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide;formamide.

Molecular Properties

• Compound Name: N-[2-[6-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethoxy-4-methyl-2-pyridinyl]-2-cyclopropylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide;formamide
• PubChem CID: 169240898
• Molecular Formula: C33H35ClF3N5O4
• Molecular Weight: 658.12 g/mol
• Exact Mass: 657.23
• IUPAC Name: N-[2-[6-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethoxy-4-methyl-2-pyridinyl]-2-cyclopropylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide;formamide
• SMILES: CCOc1c(C)cc(C(CNC(=O)c2cc(OC)c3nn(C4CC4)cc3c2)C2CC2)nc1-c1ccc(C(F)(F)F)cc1Cl.NC=O
• InChI: InChI=1S/C32H32ClF3N4O3.CH3NO/c1-4-43-30-17(2)11-26(38-29(30)23-10-7-21(14-25(23)33)32(34,35)36)24(18-5-6-18)15-37-31(41)19-12-20-16-40(22-8-9-22)39-28(20)27(13-19)42-3;2-1-3/h7,10-14,16,18,22,24H,4-6,8-9,15H2,1-3H3,(H,37,41);1H,(H2,2,3)
• InChIKey: UXNVSVMPPAECDH-UHFFFAOYSA-N
• XLogP: 6.85
• TPSA: 121.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	658.12
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethoxy-4-methyl-2-pyridinyl]-2-cyclopropylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide;formamide?

The IUPAC name of N-[2-[6-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethoxy-4-methyl-2-pyridinyl]-2-cyclopropylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide;formamide (CID 169240898) is N-[2-[6-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethoxy-4-methyl-2-pyridinyl]-2-cyclopropylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide;formamide.

What is the SMILES notation for N-[2-[6-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethoxy-4-methyl-2-pyridinyl]-2-cyclopropylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide;formamide?

The canonical SMILES for N-[2-[6-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethoxy-4-methyl-2-pyridinyl]-2-cyclopropylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide;formamide is CCOc1c(C)cc(C(CNC(=O)c2cc(OC)c3nn(C4CC4)cc3c2)C2CC2)nc1-c1ccc(C(F)(F)F)cc1Cl.NC=O.

What is the InChIKey of N-[2-[6-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethoxy-4-methyl-2-pyridinyl]-2-cyclopropylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide;formamide?

The InChIKey is UXNVSVMPPAECDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32ClF3N4O3.CH3NO/c1-4-43-30-17(2)11-26(38-29(30)23-10-7-21(14-25(23)33)32(34,35)36)24(18-5-6-18)15-37-31(41)19-12-20-16-40(22-8-9-22)39-28(20)27(13-19)42-3;2-1-3/h7,10-14,16,18,22,24H,4-6,8-9,15H2,1-3H3,(H,37,41);1H,(H2,2,3).

What are the key properties of N-[2-[6-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethoxy-4-methyl-2-pyridinyl]-2-cyclopropylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide;formamide?

N-[2-[6-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethoxy-4-methyl-2-pyridinyl]-2-cyclopropylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide;formamide has a molecular weight of 658.12 g/mol, XLogP of 6.85, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[6-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethoxy-4-methyl-2-pyridinyl]-2-cyclopropylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide;formamide is sourced from PubChem (CID 169240898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).