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

C21H20N4O2 — CID 57399460

IUPACN-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cc3ccc(-c4cn[nH]c4)cc3[nH]2)c1
InChIInChI=1S/C21H20N4O2/c1-25(13-14-4-3-5-18(8-14)27-2)21(26)20-10-16-7-6-15(9-19(16)24-20)17-11-22-23-12-17/h3-12,24H,13H2,1-2H3,(H,22,23)
InChIKeyYJMNZRBIDTUOAU-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.84
Rot. Bonds5

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

N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide (PubChem CID 57399460) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
PubChem CID57399460
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cc3ccc(-c4cn[nH]c4)cc3[nH]2)c1
InChIInChI=1S/C21H20N4O2/c1-25(13-14-4-3-5-18(8-14)27-2)21(26)20-10-16-7-6-15(9-19(16)24-20)17-11-22-23-12-17/h3-12,24H,13H2,1-2H3,(H,22,23)
InChIKeyYJMNZRBIDTUOAU-UHFFFAOYSA-N
XLogP3.84
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide (CID 57399460) is N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide is COc1cccc(CN(C)C(=O)c2cc3ccc(-c4cn[nH]c4)cc3[nH]2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide?
The InChIKey is YJMNZRBIDTUOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-25(13-14-4-3-5-18(8-14)27-2)21(26)20-10-16-7-6-15(9-19(16)24-20)17-11-22-23-12-17/h3-12,24H,13H2,1-2H3,(H,22,23).
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 57399460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).