1-methyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridine

C16H17N3O3 — CID 655187

IUPAC1-methyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridine
SMILESCOc1cc(-c2nc3cnccc3n2C)cc(OC)c1OC
InChIInChI=1S/C16H17N3O3/c1-19-12-5-6-17-9-11(12)18-16(19)10-7-13(20-2)15(22-4)14(8-10)21-3/h5-9H,1-4H3
InChIKeyLUPIYJXFUZXEHE-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.66
Rot. Bonds4

About 1-methyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridine

1-methyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridine (PubChem CID 655187) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-methyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-methyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridine
PubChem CID655187
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name1-methyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridine
SMILESCOc1cc(-c2nc3cnccc3n2C)cc(OC)c1OC
InChIInChI=1S/C16H17N3O3/c1-19-12-5-6-17-9-11(12)18-16(19)10-7-13(20-2)15(22-4)14(8-10)21-3/h5-9H,1-4H3
InChIKeyLUPIYJXFUZXEHE-UHFFFAOYSA-N
XLogP2.66
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Unii-XX8E5WP7FS
CID 118009787
2,4-Diamino-6-[N-(3',4',5'-Trimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine
CID 447229
9-butyl-8-(3,4,5-trimethoxybenzyl)-9H-purin-6-amine
CID 448965
7-[(3,4,5-Trimethoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 456183
T-115
CID 11566756
2,4-Disubstituted Pyrimidine 2h
CID 5329421
6-(3,4-dimethoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538783
1-(6-{[(3,4-dimethoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl)-3-methylpent-1-yn-3-ol
CID 6538963
5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 9886746
6-chloro-9-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]-9H-purin-2-amine
CID 16735063
2-(1H-indol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine
CID 122195227
2-(1H-indol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine
CID 122195228

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridine?
The IUPAC name of 1-methyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridine (CID 655187) is 1-methyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-methyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 1-methyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridine is COc1cc(-c2nc3cnccc3n2C)cc(OC)c1OC.
What is the InChIKey of 1-methyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridine?
The InChIKey is LUPIYJXFUZXEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-19-12-5-6-17-9-11(12)18-16(19)10-7-13(20-2)15(22-4)14(8-10)21-3/h5-9H,1-4H3.
What are the key properties of 1-methyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridine?
1-methyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridine has a molecular weight of 299.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 655187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).