6-[2-(3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide

C29H26N4O4 — CID 90096203

IUPAC6-[2-(3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cnc3ccc(-c4cccnc4-c4cccc(C)c4)cn23)cc(OC)c1OC
InChIInChI=1S/C29H26N4O4/c1-18-7-5-8-19(13-18)27-22(9-6-12-30-27)20-10-11-26-31-16-23(33(26)17-20)29(34)32-21-14-24(35-2)28(37-4)25(15-21)36-3/h5-17H,1-4H3,(H,32,34)
InChIKeyKNUSYHZSMPESRS-UHFFFAOYSA-N
MW494.55 g/mol
LogP5.65
Rot. Bonds7

About 6-[2-(3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide

6-[2-(3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90096203) has the molecular formula C29H26N4O4 and a molecular weight of 494.55 g/mol. Its IUPAC name is 6-[2-(3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90096203
Molecular FormulaC29H26N4O4
Molecular Weight494.55 g/mol
Exact Mass494.20
IUPAC Name6-[2-(3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cnc3ccc(-c4cccnc4-c4cccc(C)c4)cn23)cc(OC)c1OC
InChIInChI=1S/C29H26N4O4/c1-18-7-5-8-19(13-18)27-22(9-6-12-30-27)20-10-11-26-31-16-23(33(26)17-20)29(34)32-21-14-24(35-2)28(37-4)25(15-21)36-3/h5-17H,1-4H3,(H,32,34)
InChIKeyKNUSYHZSMPESRS-UHFFFAOYSA-N
XLogP5.65
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.55
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 90096203) is 6-[2-(3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide is COc1cc(NC(=O)c2cnc3ccc(-c4cccnc4-c4cccc(C)c4)cn23)cc(OC)c1OC.
What is the InChIKey of 6-[2-(3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is KNUSYHZSMPESRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O4/c1-18-7-5-8-19(13-18)27-22(9-6-12-30-27)20-10-11-26-31-16-23(33(26)17-20)29(34)32-21-14-24(35-2)28(37-4)25(15-21)36-3/h5-17H,1-4H3,(H,32,34).
What are the key properties of 6-[2-(3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide?
6-[2-(3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 494.55 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90096203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).