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

C19H14F2N4O — CID 57395999

IUPACN-[(3,4-difluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1c[nH]c2cc(-c3cn[nH]c3)ccc12
InChIInChI=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)
InChIKeyHEESYZLXEJDLJI-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.77
Rot. Bonds4

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 NameN-[(3,4-difluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
PubChem CID57395999
Molecular FormulaC19H14F2N4O
Molecular Weight352.34 g/mol
Exact Mass352.11
IUPAC NameN-[(3,4-difluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1c[nH]c2cc(-c3cn[nH]c3)ccc12
InChIInChI=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)
InChIKeyHEESYZLXEJDLJI-UHFFFAOYSA-N
XLogP3.77
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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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).