7-(3-methoxy-2,6-dimethylanilino)-3-methylimidazo[4,5-b]pyridine-5-carbaldehyde

C17H18N4O2 — CID 178110878

IUPAC7-(3-methoxy-2,6-dimethylanilino)-3-methylimidazo[4,5-b]pyridine-5-carbaldehyde
SMILESCOc1ccc(C)c(Nc2cc(C=O)nc3c2ncn3C)c1C
InChIInChI=1S/C17H18N4O2/c1-10-5-6-14(23-4)11(2)15(10)20-13-7-12(8-22)19-17-16(13)18-9-21(17)3/h5-9H,1-4H3,(H,19,20)
InChIKeyLRLSJMIOKJPUAK-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.15
Rot. Bonds4

About 7-(3-methoxy-2,6-dimethylanilino)-3-methylimidazo[4,5-b]pyridine-5-carbaldehyde

7-(3-methoxy-2,6-dimethylanilino)-3-methylimidazo[4,5-b]pyridine-5-carbaldehyde (PubChem CID 178110878) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 7-(3-methoxy-2,6-dimethylanilino)-3-methylimidazo[4,5-b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name7-(3-methoxy-2,6-dimethylanilino)-3-methylimidazo[4,5-b]pyridine-5-carbaldehyde
PubChem CID178110878
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name7-(3-methoxy-2,6-dimethylanilino)-3-methylimidazo[4,5-b]pyridine-5-carbaldehyde
SMILESCOc1ccc(C)c(Nc2cc(C=O)nc3c2ncn3C)c1C
InChIInChI=1S/C17H18N4O2/c1-10-5-6-14(23-4)11(2)15(10)20-13-7-12(8-22)19-17-16(13)18-9-21(17)3/h5-9H,1-4H3,(H,19,20)
InChIKeyLRLSJMIOKJPUAK-UHFFFAOYSA-N
XLogP3.15
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-5-chloro-N-(3-methoxy-2,6-dimethylphenyl)-3-methylimidazo[4,5-b]pyridin-7-amine
CID 178111219
11-amino-8-cyclopropyloxy-12-(3-methoxy-2,6-dimethylphenyl)-5-methyl-3,5,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-10-carboxamide
CID 178111133
4,8-dimethoxyquinoline-2-carbaldehyde
CID 23125776
2-(2,3-dimethylphenoxy)-1-(4-fluorophenyl)-9-methylpurin-6-one
CID 24958271
4-ethyl-5-[7-[(5-formyl-2-pyridinyl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
CID 170152532
6-bromo-N-(3-methoxy-2,6-dimethylphenyl)thieno[3,2-b]pyridin-7-amine
CID 178111008
tert-butyl N-[8-bromo-10-carbamoyl-12-(3-methoxy-2,6-dimethylphenyl)-5-methyl-3,5,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-11-yl]carbamate
CID 178110888
2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde;methanamine
CID 171812009
4-methoxy-8-propan-2-ylquinoline-2-carbaldehyde
CID 22493610
6-methoxy-5-methylnaphthalene-2-carbaldehyde
CID 58518906
5,8-dimethoxy-2-methylquinoline-3-carbaldehyde
CID 15672393
N-(8-methoxy-2-methylquinolin-5-yl)formamide
CID 168651038

Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxy-2,6-dimethylanilino)-3-methylimidazo[4,5-b]pyridine-5-carbaldehyde?
The IUPAC name of 7-(3-methoxy-2,6-dimethylanilino)-3-methylimidazo[4,5-b]pyridine-5-carbaldehyde (CID 178110878) is 7-(3-methoxy-2,6-dimethylanilino)-3-methylimidazo[4,5-b]pyridine-5-carbaldehyde.
What is the SMILES notation for 7-(3-methoxy-2,6-dimethylanilino)-3-methylimidazo[4,5-b]pyridine-5-carbaldehyde?
The canonical SMILES for 7-(3-methoxy-2,6-dimethylanilino)-3-methylimidazo[4,5-b]pyridine-5-carbaldehyde is COc1ccc(C)c(Nc2cc(C=O)nc3c2ncn3C)c1C.
What is the InChIKey of 7-(3-methoxy-2,6-dimethylanilino)-3-methylimidazo[4,5-b]pyridine-5-carbaldehyde?
The InChIKey is LRLSJMIOKJPUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-10-5-6-14(23-4)11(2)15(10)20-13-7-12(8-22)19-17-16(13)18-9-21(17)3/h5-9H,1-4H3,(H,19,20).
What are the key properties of 7-(3-methoxy-2,6-dimethylanilino)-3-methylimidazo[4,5-b]pyridine-5-carbaldehyde?
7-(3-methoxy-2,6-dimethylanilino)-3-methylimidazo[4,5-b]pyridine-5-carbaldehyde has a molecular weight of 310.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxy-2,6-dimethylanilino)-3-methylimidazo[4,5-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 178110878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).