3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide

C26H26N4O5 — CID 71448690

IUPAC3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide
SMILESCOc1cc(-c2cnc3c(NC=O)cc(-c4cccc(C(=O)N(C)C)c4)cn23)cc(OC)c1OC
InChIInChI=1S/C26H26N4O5/c1-29(2)26(32)17-8-6-7-16(9-17)19-10-20(28-15-31)25-27-13-21(30(25)14-19)18-11-22(33-3)24(35-5)23(12-18)34-4/h6-15H,1-5H3,(H,28,31)
InChIKeyGMNPZLZHSAAMCN-UHFFFAOYSA-N
MW474.52 g/mol
LogP3.96
Rot. Bonds8

About 3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide

3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide (PubChem CID 71448690) has the molecular formula C26H26N4O5 and a molecular weight of 474.52 g/mol. Its IUPAC name is 3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide
PubChem CID71448690
Molecular FormulaC26H26N4O5
Molecular Weight474.52 g/mol
Exact Mass474.19
IUPAC Name3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide
SMILESCOc1cc(-c2cnc3c(NC=O)cc(-c4cccc(C(=O)N(C)C)c4)cn23)cc(OC)c1OC
InChIInChI=1S/C26H26N4O5/c1-29(2)26(32)17-8-6-7-16(9-17)19-10-20(28-15-31)25-27-13-21(30(25)14-19)18-11-22(33-3)24(35-5)23(12-18)34-4/h6-15H,1-5H3,(H,28,31)
InChIKeyGMNPZLZHSAAMCN-UHFFFAOYSA-N
XLogP3.96
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-imidazo[1,2-a]pyrazin-3-yl-N,N-dimethylbenzamide
CID 162626496
(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364048
N-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 30379109
2-formamido-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59700179
methyl 3-[3-[[(E)-3-amino-1-(methylamino)prop-1-en-2-yl]sulfanylamino]-4,5-dimethoxyphenyl]-8-(methylamino)imidazo[1,2-a]pyrazine-6-carboxylate
CID 172631391
4-methoxy-N,N-dimethyl-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]benzamide
CID 75385143
4-[3-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
CID 11462658
N,N-dimethyl-3-(4-methylphenyl)benzamide
CID 121373381
3-(3H-benzimidazol-5-yl)-N,N-dimethylbenzamide
CID 175533007
3-[4-methoxy-3-[3-[(2-methoxy-3,4-dioxocyclobuten-1-yl)amino]anilino]sulfanylphenyl]-N,N-dimethylbenzamide
CID 135173774
3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide
CID 126672906
N,N-dimethyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl)benzamide
CID 126473291

Frequently Asked Questions

What is the IUPAC name of 3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide (CID 71448690) is 3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide is COc1cc(-c2cnc3c(NC=O)cc(-c4cccc(C(=O)N(C)C)c4)cn23)cc(OC)c1OC.
What is the InChIKey of 3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide?
The InChIKey is GMNPZLZHSAAMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O5/c1-29(2)26(32)17-8-6-7-16(9-17)19-10-20(28-15-31)25-27-13-21(30(25)14-19)18-11-22(33-3)24(35-5)23(12-18)34-4/h6-15H,1-5H3,(H,28,31).
What are the key properties of 3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide?
3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide has a molecular weight of 474.52 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 71448690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).