2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide

C24H24N4O2S — CID 58279083

IUPAC2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2c1N=C(c1ccccc1OCCN1CCCC1)C2
InChIInChI=1S/C24H24N4O2S/c29-23(27-24-25-10-15-31-24)19-8-5-6-17-16-20(26-22(17)19)18-7-1-2-9-21(18)30-14-13-28-11-3-4-12-28/h1-2,5-10,15H,3-4,11-14,16H2,(H,25,27,29)
InChIKeyZVCYFRFAUUKXBK-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.55
Rot. Bonds7

About 2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide

2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide (PubChem CID 58279083) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide.

Molecular Properties

Compound Name2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
PubChem CID58279083
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2c1N=C(c1ccccc1OCCN1CCCC1)C2
InChIInChI=1S/C24H24N4O2S/c29-23(27-24-25-10-15-31-24)19-8-5-6-17-16-20(26-22(17)19)18-7-1-2-9-21(18)30-14-13-28-11-3-4-12-28/h1-2,5-10,15H,3-4,11-14,16H2,(H,25,27,29)
InChIKeyZVCYFRFAUUKXBK-UHFFFAOYSA-N
XLogP4.55
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The IUPAC name of 2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide (CID 58279083) is 2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide.
What is the SMILES notation for 2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The canonical SMILES for 2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide is O=C(Nc1nccs1)c1cccc2c1N=C(c1ccccc1OCCN1CCCC1)C2.
What is the InChIKey of 2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The InChIKey is ZVCYFRFAUUKXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c29-23(27-24-25-10-15-31-24)19-8-5-6-17-16-20(26-22(17)19)18-7-1-2-9-21(18)30-14-13-28-11-3-4-12-28/h1-2,5-10,15H,3-4,11-14,16H2,(H,25,27,29).
What are the key properties of 2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide is sourced from PubChem (CID 58279083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).