5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-(4-methylpiperazin-1-yl)aniline

C18H21ClN6 — CID 69213443

IUPAC5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-(4-methylpiperazin-1-yl)aniline
SMILESCc1c(Cl)cnc2nc(-c3ccc(N4CCN(C)CC4)c(N)c3)[nH]c12
InChIInChI=1S/C18H21ClN6/c1-11-13(19)10-21-18-16(11)22-17(23-18)12-3-4-15(14(20)9-12)25-7-5-24(2)6-8-25/h3-4,9-10H,5-8,20H2,1-2H3,(H,21,22,23)
InChIKeyORJAOCKIDKOPHY-UHFFFAOYSA-N
MW356.86 g/mol
LogP2.92
Rot. Bonds2

About 5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-(4-methylpiperazin-1-yl)aniline

5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-(4-methylpiperazin-1-yl)aniline (PubChem CID 69213443) has the molecular formula C18H21ClN6 and a molecular weight of 356.86 g/mol. Its IUPAC name is 5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-(4-methylpiperazin-1-yl)aniline.

Molecular Properties

Compound Name5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-(4-methylpiperazin-1-yl)aniline
PubChem CID69213443
Molecular FormulaC18H21ClN6
Molecular Weight356.86 g/mol
Exact Mass356.15
IUPAC Name5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-(4-methylpiperazin-1-yl)aniline
SMILESCc1c(Cl)cnc2nc(-c3ccc(N4CCN(C)CC4)c(N)c3)[nH]c12
InChIInChI=1S/C18H21ClN6/c1-11-13(19)10-21-18-16(11)22-17(23-18)12-3-4-15(14(20)9-12)25-7-5-24(2)6-8-25/h3-4,9-10H,5-8,20H2,1-2H3,(H,21,22,23)
InChIKeyORJAOCKIDKOPHY-UHFFFAOYSA-N
XLogP2.92
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-morpholin-4-ylaniline
CID 69373889
5-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-morpholin-4-ylaniline;4-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]morpholine
CID 161336451
2-(4-methylpiperazin-1-yl)-5-phenylaniline
CID 175786504
5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-nitrophenol
CID 69209612
2-chloro-5-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
CID 79795619
5-chloro-2-methyl-4-(4-methylpiperazin-1-yl)aniline
CID 89293941
6-chloro-N-(1-methylpiperidin-4-yl)-2-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 134177287
2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine
CID 136937844
3-[[4-[6-chloro-2-[3-(4-methylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-1,2-oxazole
CID 72705940
(2R)-2-[[4-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-hydroxyanilino]methyl]pyrrolidine-1-carboxylic acid
CID 69209583
8-(4-amino-3-methylphenyl)-7H-purin-6-amine
CID 114608073
4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine
CID 117472714

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-(4-methylpiperazin-1-yl)aniline?
The IUPAC name of 5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-(4-methylpiperazin-1-yl)aniline (CID 69213443) is 5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-(4-methylpiperazin-1-yl)aniline.
What is the SMILES notation for 5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-(4-methylpiperazin-1-yl)aniline?
The canonical SMILES for 5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-(4-methylpiperazin-1-yl)aniline is Cc1c(Cl)cnc2nc(-c3ccc(N4CCN(C)CC4)c(N)c3)[nH]c12.
What is the InChIKey of 5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-(4-methylpiperazin-1-yl)aniline?
The InChIKey is ORJAOCKIDKOPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN6/c1-11-13(19)10-21-18-16(11)22-17(23-18)12-3-4-15(14(20)9-12)25-7-5-24(2)6-8-25/h3-4,9-10H,5-8,20H2,1-2H3,(H,21,22,23).
What are the key properties of 5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-(4-methylpiperazin-1-yl)aniline?
5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-(4-methylpiperazin-1-yl)aniline has a molecular weight of 356.86 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-(4-methylpiperazin-1-yl)aniline is sourced from PubChem (CID 69213443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).