6-(1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide

C18H16N4OS — CID 57392522

IUPAC6-(1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide
SMILESO=C(NCCc1cccs1)c1c[nH]c2cc(-c3cn[nH]c3)ccc12
InChIInChI=1S/C18H16N4OS/c23-18(19-6-5-14-2-1-7-24-14)16-11-20-17-8-12(3-4-15(16)17)13-9-21-22-10-13/h1-4,7-11,20H,5-6H2,(H,19,23)(H,21,22)
InChIKeyCVJDWPOZUNTTIU-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.59
Rot. Bonds5

About 6-(1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide

6-(1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide (PubChem CID 57392522) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 6-(1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-(1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide
PubChem CID57392522
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name6-(1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide
SMILESO=C(NCCc1cccs1)c1c[nH]c2cc(-c3cn[nH]c3)ccc12
InChIInChI=1S/C18H16N4OS/c23-18(19-6-5-14-2-1-7-24-14)16-11-20-17-8-12(3-4-15(16)17)13-9-21-22-10-13/h1-4,7-11,20H,5-6H2,(H,19,23)(H,21,22)
InChIKeyCVJDWPOZUNTTIU-UHFFFAOYSA-N
XLogP3.59
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide?
The IUPAC name of 6-(1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide (CID 57392522) is 6-(1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-(1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-(1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide is O=C(NCCc1cccs1)c1c[nH]c2cc(-c3cn[nH]c3)ccc12.
What is the InChIKey of 6-(1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide?
The InChIKey is CVJDWPOZUNTTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c23-18(19-6-5-14-2-1-7-24-14)16-11-20-17-8-12(3-4-15(16)17)13-9-21-22-10-13/h1-4,7-11,20H,5-6H2,(H,19,23)(H,21,22).
What are the key properties of 6-(1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide?
6-(1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 3.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 57392522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).