2-(2-pyrrolidin-3-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide

C22H20N4O2S — CID 58279392

IUPAC2-(2-pyrrolidin-3-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2c1N=C(c1ccccc1OC1CCNC1)C2
InChIInChI=1S/C22H20N4O2S/c27-21(26-22-24-10-11-29-22)17-6-3-4-14-12-18(25-20(14)17)16-5-1-2-7-19(16)28-15-8-9-23-13-15/h1-7,10-11,15,23H,8-9,12-13H2,(H,24,26,27)
InChIKeyJVIDLFHDAXUXDK-UHFFFAOYSA-N
MW404.50 g/mol
LogP3.81
Rot. Bonds5

About 2-(2-pyrrolidin-3-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide

2-(2-pyrrolidin-3-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide (PubChem CID 58279392) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 2-(2-pyrrolidin-3-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide.

Molecular Properties

Compound Name2-(2-pyrrolidin-3-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
PubChem CID58279392
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Name2-(2-pyrrolidin-3-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2c1N=C(c1ccccc1OC1CCNC1)C2
InChIInChI=1S/C22H20N4O2S/c27-21(26-22-24-10-11-29-22)17-6-3-4-14-12-18(25-20(14)17)16-5-1-2-7-19(16)28-15-8-9-23-13-15/h1-7,10-11,15,23H,8-9,12-13H2,(H,24,26,27)
InChIKeyJVIDLFHDAXUXDK-UHFFFAOYSA-N
XLogP3.81
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-3-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The IUPAC name of 2-(2-pyrrolidin-3-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide (CID 58279392) is 2-(2-pyrrolidin-3-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide.
What is the SMILES notation for 2-(2-pyrrolidin-3-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The canonical SMILES for 2-(2-pyrrolidin-3-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide is O=C(Nc1nccs1)c1cccc2c1N=C(c1ccccc1OC1CCNC1)C2.
What is the InChIKey of 2-(2-pyrrolidin-3-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The InChIKey is JVIDLFHDAXUXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c27-21(26-22-24-10-11-29-22)17-6-3-4-14-12-18(25-20(14)17)16-5-1-2-7-19(16)28-15-8-9-23-13-15/h1-7,10-11,15,23H,8-9,12-13H2,(H,24,26,27).
What are the key properties of 2-(2-pyrrolidin-3-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
2-(2-pyrrolidin-3-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide has a molecular weight of 404.50 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-3-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide is sourced from PubChem (CID 58279392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).