1-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine

C17H19ClN4 — CID 94746856

IUPAC1-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine
SMILESCc1cccc(-c2nc3cc(Cl)cnc3n2CC(C)(C)N)c1
InChIInChI=1S/C17H19ClN4/c1-11-5-4-6-12(7-11)15-21-14-8-13(18)9-20-16(14)22(15)10-17(2,3)19/h4-9H,10,19H2,1-3H3
InChIKeyMKFRCEYBXMINTC-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.80
Rot. Bonds3

About 1-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine

1-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine (PubChem CID 94746856) has the molecular formula C17H19ClN4 and a molecular weight of 314.82 g/mol. Its IUPAC name is 1-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine
PubChem CID94746856
Molecular FormulaC17H19ClN4
Molecular Weight314.82 g/mol
Exact Mass314.13
IUPAC Name1-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine
SMILESCc1cccc(-c2nc3cc(Cl)cnc3n2CC(C)(C)N)c1
InChIInChI=1S/C17H19ClN4/c1-11-5-4-6-12(7-11)15-21-14-8-13(18)9-20-16(14)22(15)10-17(2,3)19/h4-9H,10,19H2,1-3H3
InChIKeyMKFRCEYBXMINTC-UHFFFAOYSA-N
XLogP3.80
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 82150810
1-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine
CID 94746861
2-[6-chloro-2-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]acetic acid
CID 93209838
3-[6-chloro-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 82150963
2-methyl-2-[6-methyl-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 93209557
2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetic acid
CID 82061437
1-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)-2-methylpropan-2-amine
CID 82144185
3-benzyl-6-chloro-2-methylimidazo[4,5-b]pyridine
CID 135336062
2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 82143864
2-[6-chloro-2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]acetonitrile
CID 82143724
3-(6-chloro-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propanethioamide
CID 94757877
3-[2-(3-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 82061556

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine?
The IUPAC name of 1-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine (CID 94746856) is 1-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine is Cc1cccc(-c2nc3cc(Cl)cnc3n2CC(C)(C)N)c1.
What is the InChIKey of 1-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine?
The InChIKey is MKFRCEYBXMINTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4/c1-11-5-4-6-12(7-11)15-21-14-8-13(18)9-20-16(14)22(15)10-17(2,3)19/h4-9H,10,19H2,1-3H3.
What are the key properties of 1-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine?
1-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine has a molecular weight of 314.82 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine is sourced from PubChem (CID 94746856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).