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

C21H20N4O2 — CID 57392519

IUPACN-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2c[nH]c3cc(-c4cn[nH]c4)ccc23)c1
InChIInChI=1S/C21H20N4O2/c1-25(13-14-4-3-5-17(8-14)27-2)21(26)19-12-22-20-9-15(6-7-18(19)20)16-10-23-24-11-16/h3-12,22H,13H2,1-2H3,(H,23,24)
InChIKeyBMIATOZOZWDASC-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.84
Rot. Bonds5

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

N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide (PubChem CID 57392519) 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-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
PubChem CID57392519
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2c[nH]c3cc(-c4cn[nH]c4)ccc23)c1
InChIInChI=1S/C21H20N4O2/c1-25(13-14-4-3-5-17(8-14)27-2)21(26)19-12-22-20-9-15(6-7-18(19)20)16-10-23-24-11-16/h3-12,22H,13H2,1-2H3,(H,23,24)
InChIKeyBMIATOZOZWDASC-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-3-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide (CID 57392519) is N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide is COc1cccc(CN(C)C(=O)c2c[nH]c3cc(-c4cn[nH]c4)ccc23)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide?
The InChIKey is BMIATOZOZWDASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-25(13-14-4-3-5-17(8-14)27-2)21(26)19-12-22-20-9-15(6-7-18(19)20)16-10-23-24-11-16/h3-12,22H,13H2,1-2H3,(H,23,24).
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide?
N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-indole-3-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-3-carboxamide is sourced from PubChem (CID 57392519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).