N-(4-methoxy-7-phenyl-3H-indol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide

C23H22N4O2 — CID 147014443

IUPACN-(4-methoxy-7-phenyl-3H-indol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1ccc(-c2ccccc2)c2c1CC(NC(=O)c1cnc3n1CCCC3)=N2
InChIInChI=1S/C23H22N4O2/c1-29-19-11-10-16(15-7-3-2-4-8-15)22-17(19)13-20(25-22)26-23(28)18-14-24-21-9-5-6-12-27(18)21/h2-4,7-8,10-11,14H,5-6,9,12-13H2,1H3,(H,25,26,28)
InChIKeyAUMPSWUXPMZHTM-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.91
Rot. Bonds3

About N-(4-methoxy-7-phenyl-3H-indol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide

N-(4-methoxy-7-phenyl-3H-indol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 147014443) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-(4-methoxy-7-phenyl-3H-indol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-7-phenyl-3H-indol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID147014443
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-(4-methoxy-7-phenyl-3H-indol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1ccc(-c2ccccc2)c2c1CC(NC(=O)c1cnc3n1CCCC3)=N2
InChIInChI=1S/C23H22N4O2/c1-29-19-11-10-16(15-7-3-2-4-8-15)22-17(19)13-20(25-22)26-23(28)18-14-24-21-9-5-6-12-27(18)21/h2-4,7-8,10-11,14H,5-6,9,12-13H2,1H3,(H,25,26,28)
InChIKeyAUMPSWUXPMZHTM-UHFFFAOYSA-N
XLogP3.91
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-7-phenyl-3H-indol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(4-methoxy-7-phenyl-3H-indol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (CID 147014443) is N-(4-methoxy-7-phenyl-3H-indol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-methoxy-7-phenyl-3H-indol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(4-methoxy-7-phenyl-3H-indol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is COc1ccc(-c2ccccc2)c2c1CC(NC(=O)c1cnc3n1CCCC3)=N2.
What is the InChIKey of N-(4-methoxy-7-phenyl-3H-indol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is AUMPSWUXPMZHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-29-19-11-10-16(15-7-3-2-4-8-15)22-17(19)13-20(25-22)26-23(28)18-14-24-21-9-5-6-12-27(18)21/h2-4,7-8,10-11,14H,5-6,9,12-13H2,1H3,(H,25,26,28).
What are the key properties of N-(4-methoxy-7-phenyl-3H-indol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
N-(4-methoxy-7-phenyl-3H-indol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-7-phenyl-3H-indol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 147014443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).