3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine

C19H23N5O — CID 126720389

IUPAC3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine
SMILESCOc1ccccc1Cn1c(C)nc2c(N3CCNCC3)ccnc21
InChIInChI=1S/C19H23N5O/c1-14-22-18-16(23-11-9-20-10-12-23)7-8-21-19(18)24(14)13-15-5-3-4-6-17(15)25-2/h3-8,20H,9-13H2,1-2H3
InChIKeyAGTXDSXXULSBDI-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.21
Rot. Bonds4

About 3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine

3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine (PubChem CID 126720389) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine
PubChem CID126720389
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine
SMILESCOc1ccccc1Cn1c(C)nc2c(N3CCNCC3)ccnc21
InChIInChI=1S/C19H23N5O/c1-14-22-18-16(23-11-9-20-10-12-23)7-8-21-19(18)24(14)13-15-5-3-4-6-17(15)25-2/h3-8,20H,9-13H2,1-2H3
InChIKeyAGTXDSXXULSBDI-UHFFFAOYSA-N
XLogP2.21
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Byk-191023
CID 10308091
N4-methyl-N2-{2-methyl-1-[2-({3-methyl-3H-imidazo[4,5-b]pyridin-6-yl}oxy)phenyl]-1H-indol-6-yl}pyrimidine-2,4-diamine
CID 121231410
AZ191
CID 72716071
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
N-{4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl}-4-{2-methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-amine
CID 6539010
4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
N6-(2,5-Dimethoxy-Benzyl)-N6-Methyl-Pyrido[2,3-D]Pyrimidine-2,4,6-Triamine
CID 444617
2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine
CID 9543517
Meriolin 3
CID 23727981
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
9-butyl-8-(4-methoxybenzyl)-9H-purin-6-amine
CID 5289227
N-(2-methoxybenzyl)-9H-purin-6-amine
CID 756722

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine (CID 126720389) is 3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine is COc1ccccc1Cn1c(C)nc2c(N3CCNCC3)ccnc21.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine?
The InChIKey is AGTXDSXXULSBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14-22-18-16(23-11-9-20-10-12-23)7-8-21-19(18)24(14)13-15-5-3-4-6-17(15)25-2/h3-8,20H,9-13H2,1-2H3.
What are the key properties of 3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine?
3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine has a molecular weight of 337.43 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 126720389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).