N-[(2,5-dimethoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide

C21H20N4O3 — CID 57397802

IUPACN-[(2,5-dimethoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2c[nH]c3cc(-c4cn[nH]c4)ccc23)c1
InChIInChI=1S/C21H20N4O3/c1-27-16-4-6-20(28-2)14(7-16)9-23-21(26)18-12-22-19-8-13(3-5-17(18)19)15-10-24-25-11-15/h3-8,10-12,22H,9H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyALZIWCKUXRQESR-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.51
Rot. Bonds6

About N-[(2,5-dimethoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide

N-[(2,5-dimethoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide (PubChem CID 57397802) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
PubChem CID57397802
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2c[nH]c3cc(-c4cn[nH]c4)ccc23)c1
InChIInChI=1S/C21H20N4O3/c1-27-16-4-6-20(28-2)14(7-16)9-23-21(26)18-12-22-19-8-13(3-5-17(18)19)15-10-24-25-11-15/h3-8,10-12,22H,9H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyALZIWCKUXRQESR-UHFFFAOYSA-N
XLogP3.51
TPSA92.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide (CID 57397802) is N-[(2,5-dimethoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide is COc1ccc(OC)c(CNC(=O)c2c[nH]c3cc(-c4cn[nH]c4)ccc23)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide?
The InChIKey is ALZIWCKUXRQESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-27-16-4-6-20(28-2)14(7-16)9-23-21(26)18-12-22-19-8-13(3-5-17(18)19)15-10-24-25-11-15/h3-8,10-12,22H,9H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide?
N-[(2,5-dimethoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 57397802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).