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

C26H22N4O2 — CID 52934146

IUPACN-[(3-methoxyphenyl)methyl]-1-phenyl-6-(1H-pyrazol-4-yl)indole-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2cn(-c3ccccc3)c3cc(-c4cn[nH]c4)ccc23)c1
InChIInChI=1S/C26H22N4O2/c1-32-22-9-5-6-18(12-22)14-27-26(31)24-17-30(21-7-3-2-4-8-21)25-13-19(10-11-23(24)25)20-15-28-29-16-20/h2-13,15-17H,14H2,1H3,(H,27,31)(H,28,29)
InChIKeyZYBXRSQAQUYTFT-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.96
Rot. Bonds6

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

N-[(3-methoxyphenyl)methyl]-1-phenyl-6-(1H-pyrazol-4-yl)indole-3-carboxamide (PubChem CID 52934146) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-phenyl-6-(1H-pyrazol-4-yl)indole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-phenyl-6-(1H-pyrazol-4-yl)indole-3-carboxamide
PubChem CID52934146
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-phenyl-6-(1H-pyrazol-4-yl)indole-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2cn(-c3ccccc3)c3cc(-c4cn[nH]c4)ccc23)c1
InChIInChI=1S/C26H22N4O2/c1-32-22-9-5-6-18(12-22)14-27-26(31)24-17-30(21-7-3-2-4-8-21)25-13-19(10-11-23(24)25)20-15-28-29-16-20/h2-13,15-17H,14H2,1H3,(H,27,31)(H,28,29)
InChIKeyZYBXRSQAQUYTFT-UHFFFAOYSA-N
XLogP4.96
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-phenyl-6-(1H-pyrazol-4-yl)indole-3-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-phenyl-6-(1H-pyrazol-4-yl)indole-3-carboxamide (CID 52934146) is N-[(3-methoxyphenyl)methyl]-1-phenyl-6-(1H-pyrazol-4-yl)indole-3-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-phenyl-6-(1H-pyrazol-4-yl)indole-3-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-phenyl-6-(1H-pyrazol-4-yl)indole-3-carboxamide is COc1cccc(CNC(=O)c2cn(-c3ccccc3)c3cc(-c4cn[nH]c4)ccc23)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-phenyl-6-(1H-pyrazol-4-yl)indole-3-carboxamide?
The InChIKey is ZYBXRSQAQUYTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-32-22-9-5-6-18(12-22)14-27-26(31)24-17-30(21-7-3-2-4-8-21)25-13-19(10-11-23(24)25)20-15-28-29-16-20/h2-13,15-17H,14H2,1H3,(H,27,31)(H,28,29).
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-phenyl-6-(1H-pyrazol-4-yl)indole-3-carboxamide?
N-[(3-methoxyphenyl)methyl]-1-phenyl-6-(1H-pyrazol-4-yl)indole-3-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1-phenyl-6-(1H-pyrazol-4-yl)indole-3-carboxamide is sourced from PubChem (CID 52934146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).