N-[(3,4-difluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide

C₁₉H₁₄F₂N₄O — CID 57395999

About N-[(3,4-difluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide

N-[(3,4-difluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide (PubChem CID 57395999) has the molecular formula C₁₉H₁₄F₂N₄O and a molecular weight of 352.34 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3,4-difluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
• PubChem CID: 57395999
• Molecular Formula: C₁₉H₁₄F₂N₄O
• Molecular Weight: 352.34 g/mol
• Exact Mass: 352.11
• IUPAC Name: N-[(3,4-difluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
• SMILES: O=C(NCc1ccc(F)c(F)c1)c1c[nH]c2cc(-c3cn[nH]c3)ccc12
• InChI: InChI=1S/C19H14F2N4O/c20-16-4-1-11(5-17(16)21)7-23-19(26)15-10-22-18-6-12(2-3-14(15)18)13-8-24-25-9-13/h1-6,8-10,22H,7H2,(H,23,26)(H,24,25)
• InChIKey: HEESYZLXEJDLJI-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 73.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.34
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide?

The IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide (CID 57395999) is N-[(3,4-difluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide.

What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide?

The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide is O=C(NCc1ccc(F)c(F)c1)c1c[nH]c2cc(-c3cn[nH]c3)ccc12.

What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide?

The InChIKey is HEESYZLXEJDLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O/c20-16-4-1-11(5-17(16)21)7-23-19(26)15-10-22-18-6-12(2-3-14(15)18)13-8-24-25-9-13/h1-6,8-10,22H,7H2,(H,23,26)(H,24,25).

What are the key properties of N-[(3,4-difluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide?

N-[(3,4-difluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide has a molecular weight of 352.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,4-difluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 57395999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 57395999 — identifiers, structure, computed properties (public domain)

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