8-N-(2,3-dihydro-1H-indol-5-ylmethyl)-3-N-(2-hydroxy-1-phenylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

C30H27N5O3S — CID 143716883

IUPAC8-N-(2,3-dihydro-1H-indol-5-ylmethyl)-3-N-(2-hydroxy-1-phenylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESO=C(NCc1ccc2c(c1)CCN2)c1cccn2c(C(=O)NC(CO)c3ccccc3)c(-c3ccsc3)nc12
InChIInChI=1S/C30H27N5O3S/c36-17-25(20-5-2-1-3-6-20)33-30(38)27-26(22-11-14-39-18-22)34-28-23(7-4-13-35(27)28)29(37)32-16-19-8-9-24-21(15-19)10-12-31-24/h1-9,11,13-15,18,25,31,36H,10,12,16-17H2,(H,32,37)(H,33,38)
InChIKeyCKNWLJSUHVZBAB-UHFFFAOYSA-N
MW537.65 g/mol
LogP4.42
Rot. Bonds8

About 8-N-(2,3-dihydro-1H-indol-5-ylmethyl)-3-N-(2-hydroxy-1-phenylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

8-N-(2,3-dihydro-1H-indol-5-ylmethyl)-3-N-(2-hydroxy-1-phenylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (PubChem CID 143716883) has the molecular formula C30H27N5O3S and a molecular weight of 537.65 g/mol. Its IUPAC name is 8-N-(2,3-dihydro-1H-indol-5-ylmethyl)-3-N-(2-hydroxy-1-phenylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.

Molecular Properties

Compound Name8-N-(2,3-dihydro-1H-indol-5-ylmethyl)-3-N-(2-hydroxy-1-phenylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
PubChem CID143716883
Molecular FormulaC30H27N5O3S
Molecular Weight537.65 g/mol
Exact Mass537.18
IUPAC Name8-N-(2,3-dihydro-1H-indol-5-ylmethyl)-3-N-(2-hydroxy-1-phenylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESO=C(NCc1ccc2c(c1)CCN2)c1cccn2c(C(=O)NC(CO)c3ccccc3)c(-c3ccsc3)nc12
InChIInChI=1S/C30H27N5O3S/c36-17-25(20-5-2-1-3-6-20)33-30(38)27-26(22-11-14-39-18-22)34-28-23(7-4-13-35(27)28)29(37)32-16-19-8-9-24-21(15-19)10-12-31-24/h1-9,11,13-15,18,25,31,36H,10,12,16-17H2,(H,32,37)(H,33,38)
InChIKeyCKNWLJSUHVZBAB-UHFFFAOYSA-N
XLogP4.42
TPSA107.76 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.65
LogP ≤ 54.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 8-N-(2,3-dihydro-1H-indol-5-ylmethyl)-3-N-(2-hydroxy-1-phenylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-N-(2,3-dihydro-1H-indol-5-ylmethyl)-3-N-(2-hydroxy-1-phenylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The IUPAC name of 8-N-(2,3-dihydro-1H-indol-5-ylmethyl)-3-N-(2-hydroxy-1-phenylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (CID 143716883) is 8-N-(2,3-dihydro-1H-indol-5-ylmethyl)-3-N-(2-hydroxy-1-phenylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.
What is the SMILES notation for 8-N-(2,3-dihydro-1H-indol-5-ylmethyl)-3-N-(2-hydroxy-1-phenylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The canonical SMILES for 8-N-(2,3-dihydro-1H-indol-5-ylmethyl)-3-N-(2-hydroxy-1-phenylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is O=C(NCc1ccc2c(c1)CCN2)c1cccn2c(C(=O)NC(CO)c3ccccc3)c(-c3ccsc3)nc12.
What is the InChIKey of 8-N-(2,3-dihydro-1H-indol-5-ylmethyl)-3-N-(2-hydroxy-1-phenylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The InChIKey is CKNWLJSUHVZBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O3S/c36-17-25(20-5-2-1-3-6-20)33-30(38)27-26(22-11-14-39-18-22)34-28-23(7-4-13-35(27)28)29(37)32-16-19-8-9-24-21(15-19)10-12-31-24/h1-9,11,13-15,18,25,31,36H,10,12,16-17H2,(H,32,37)(H,33,38).
What are the key properties of 8-N-(2,3-dihydro-1H-indol-5-ylmethyl)-3-N-(2-hydroxy-1-phenylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
8-N-(2,3-dihydro-1H-indol-5-ylmethyl)-3-N-(2-hydroxy-1-phenylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide has a molecular weight of 537.65 g/mol, XLogP of 4.42, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(2,3-dihydro-1H-indol-5-ylmethyl)-3-N-(2-hydroxy-1-phenylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is sourced from PubChem (CID 143716883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).