2-(2,2-dimethylpropyl)-3-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine

C16H19N3S — CID 117165868

IUPAC2-(2,2-dimethylpropyl)-3-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(CC(C)(C)C)nc3cccnc32)s1
InChIInChI=1S/C16H19N3S/c1-11-7-8-14(20-11)19-13(10-16(2,3)4)18-12-6-5-9-17-15(12)19/h5-9H,10H2,1-4H3
InChIKeyLINLKCPRWKSWNX-UHFFFAOYSA-N
MW285.42 g/mol
LogP4.38
Rot. Bonds2

About 2-(2,2-dimethylpropyl)-3-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine

2-(2,2-dimethylpropyl)-3-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117165868) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-3-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-3-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine
PubChem CID117165868
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name2-(2,2-dimethylpropyl)-3-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(CC(C)(C)C)nc3cccnc32)s1
InChIInChI=1S/C16H19N3S/c1-11-7-8-14(20-11)19-13(10-16(2,3)4)18-12-6-5-9-17-15(12)19/h5-9H,10H2,1-4H3
InChIKeyLINLKCPRWKSWNX-UHFFFAOYSA-N
XLogP4.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-3-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2,2-dimethylpropyl)-3-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine (CID 117165868) is 2-(2,2-dimethylpropyl)-3-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-3-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-3-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine is Cc1ccc(-n2c(CC(C)(C)C)nc3cccnc32)s1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-3-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is LINLKCPRWKSWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-11-7-8-14(20-11)19-13(10-16(2,3)4)18-12-6-5-9-17-15(12)19/h5-9H,10H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-3-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine?
2-(2,2-dimethylpropyl)-3-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 285.42 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-3-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117165868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).