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

C15H17ClN4S — CID 94746861

IUPAC1-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine
SMILESCC(C)(N)Cn1c(Cc2cccs2)nc2cc(Cl)cnc21
InChIInChI=1S/C15H17ClN4S/c1-15(2,17)9-20-13(7-11-4-3-5-21-11)19-12-6-10(16)8-18-14(12)20/h3-6,8H,7,9,17H2,1-2H3
InChIKeyAYRLELRXUZKIMK-UHFFFAOYSA-N
MW320.85 g/mol
LogP3.47
Rot. Bonds4

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

1-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine (PubChem CID 94746861) has the molecular formula C15H17ClN4S and a molecular weight of 320.85 g/mol. Its IUPAC name is 1-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine
PubChem CID94746861
Molecular FormulaC15H17ClN4S
Molecular Weight320.85 g/mol
Exact Mass320.09
IUPAC Name1-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine
SMILESCC(C)(N)Cn1c(Cc2cccs2)nc2cc(Cl)cnc21
InChIInChI=1S/C15H17ClN4S/c1-15(2,17)9-20-13(7-11-4-3-5-21-11)19-12-6-10(16)8-18-14(12)20/h3-6,8H,7,9,17H2,1-2H3
InChIKeyAYRLELRXUZKIMK-UHFFFAOYSA-N
XLogP3.47
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine with MolForge

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Related Compounds

3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 93209804
3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile
CID 82143568
4-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]butanenitrile
CID 94758775
1-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine
CID 94746856
3-[6-methyl-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanethioamide
CID 94757870
2-(chloromethyl)-6-methyl-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79301361
1-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)-2-methylpropan-2-amine
CID 82144185
2-(2-benzyl-6-chloroimidazo[4,5-b]pyridin-3-yl)ethanol
CID 82150820
5-chloro-1-methyl-2-(thiophen-2-ylmethyl)imidazole
CID 117259295
2-methyl-9-(2-methylpropyl)-8-(thiophen-2-ylmethyl)purine;yttrium
CID 59414092
2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanamine
CID 82145244
6-bromo-3-(2-methyl-2-thiophen-2-ylpropyl)imidazo[4,5-b]pyridin-2-amine
CID 80528222

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine?
The IUPAC name of 1-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine (CID 94746861) is 1-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine is CC(C)(N)Cn1c(Cc2cccs2)nc2cc(Cl)cnc21.
What is the InChIKey of 1-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine?
The InChIKey is AYRLELRXUZKIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4S/c1-15(2,17)9-20-13(7-11-4-3-5-21-11)19-12-6-10(16)8-18-14(12)20/h3-6,8H,7,9,17H2,1-2H3.
What are the key properties of 1-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine?
1-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine has a molecular weight of 320.85 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine is sourced from PubChem (CID 94746861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).