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

C21H20N4O2 — CID 57394245

IUPACN-[2-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
SMILESCOc1cccc(CCNC(=O)c2c[nH]c3cc(-c4cn[nH]c4)ccc23)c1
InChIInChI=1S/C21H20N4O2/c1-27-17-4-2-3-14(9-17)7-8-22-21(26)19-13-23-20-10-15(5-6-18(19)20)16-11-24-25-12-16/h2-6,9-13,23H,7-8H2,1H3,(H,22,26)(H,24,25)
InChIKeyPHOBRHBNCBQQGX-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.54
Rot. Bonds6

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

N-[2-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide (PubChem CID 57394245) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
PubChem CID57394245
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
SMILESCOc1cccc(CCNC(=O)c2c[nH]c3cc(-c4cn[nH]c4)ccc23)c1
InChIInChI=1S/C21H20N4O2/c1-27-17-4-2-3-14(9-17)7-8-22-21(26)19-13-23-20-10-15(5-6-18(19)20)16-11-24-25-12-16/h2-6,9-13,23H,7-8H2,1H3,(H,22,26)(H,24,25)
InChIKeyPHOBRHBNCBQQGX-UHFFFAOYSA-N
XLogP3.54
TPSA82.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide (CID 57394245) is N-[2-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide is COc1cccc(CCNC(=O)c2c[nH]c3cc(-c4cn[nH]c4)ccc23)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide?
The InChIKey is PHOBRHBNCBQQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-27-17-4-2-3-14(9-17)7-8-22-21(26)19-13-23-20-10-15(5-6-18(19)20)16-11-24-25-12-16/h2-6,9-13,23H,7-8H2,1H3,(H,22,26)(H,24,25).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 57394245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).