N-[(2-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid)

C₂₃H₁₉F₆N₅O₆ — CID 117077885

About N-[(2-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid)

N-[(2-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 117077885) has the molecular formula C₂₃H₁₉F₆N₅O₆ and a molecular weight of 575.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: N-[(2-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 117077885
• Molecular Formula: C₂₃H₁₉F₆N₅O₆
• Molecular Weight: 575.42 g/mol
• Exact Mass: 575.12
• IUPAC Name: N-[(2-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: COc1ccccc1CNC(=O)c1n[nH]c2cc(-c3cn[nH]c3)ccc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H17N5O2.2C2HF3O2/c1-26-17-5-3-2-4-13(17)9-20-19(25)18-15-7-6-12(8-16(15)23-24-18)14-10-21-22-11-14;2*3-2(4,5)1(6)7/h2-8,10-11H,9H2,1H3,(H,20,25)(H,21,22)(H,23,24);2*(H,6,7)
• InChIKey: ISFWJYASRMSGGW-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 170.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.42
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of N-[(2-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 117077885) is N-[(2-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for N-[(2-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid) is COc1ccccc1CNC(=O)c1n[nH]c2cc(-c3cn[nH]c3)ccc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of N-[(2-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is ISFWJYASRMSGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2.2C2HF3O2/c1-26-17-5-3-2-4-13(17)9-20-19(25)18-15-7-6-12(8-16(15)23-24-18)14-10-21-22-11-14;2*3-2(4,5)1(6)7/h2-8,10-11H,9H2,1H3,(H,20,25)(H,21,22)(H,23,24);2*(H,6,7).

What are the key properties of N-[(2-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?

N-[(2-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 575.42 g/mol, XLogP of 4.16, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 117077885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 117077885 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.