6-methyl-3-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazo[4,5-b]pyridin-2-amine

C15H18N4S — CID 79300915

IUPAC6-methyl-3-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazo[4,5-b]pyridin-2-amine
SMILESCc1cnc2c(c1)nc(N)n2C(C)Cc1ccc(C)s1
InChIInChI=1S/C15H18N4S/c1-9-6-13-14(17-8-9)19(15(16)18-13)10(2)7-12-5-4-11(3)20-12/h4-6,8,10H,7H2,1-3H3,(H2,16,18)
InChIKeyHCTWQYJFLFNQHS-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.50
Rot. Bonds3

About 6-methyl-3-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazo[4,5-b]pyridin-2-amine

6-methyl-3-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazo[4,5-b]pyridin-2-amine (PubChem CID 79300915) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 6-methyl-3-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-3-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazo[4,5-b]pyridin-2-amine
PubChem CID79300915
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name6-methyl-3-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazo[4,5-b]pyridin-2-amine
SMILESCc1cnc2c(c1)nc(N)n2C(C)Cc1ccc(C)s1
InChIInChI=1S/C15H18N4S/c1-9-6-13-14(17-8-9)19(15(16)18-13)10(2)7-12-5-4-11(3)20-12/h4-6,8,10H,7H2,1-3H3,(H2,16,18)
InChIKeyHCTWQYJFLFNQHS-UHFFFAOYSA-N
XLogP3.50
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-methyl-3-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazo[4,5-b]pyridin-2-amine (CID 79300915) is 6-methyl-3-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-methyl-3-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-methyl-3-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazo[4,5-b]pyridin-2-amine is Cc1cnc2c(c1)nc(N)n2C(C)Cc1ccc(C)s1.
What is the InChIKey of 6-methyl-3-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazo[4,5-b]pyridin-2-amine?
The InChIKey is HCTWQYJFLFNQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-9-6-13-14(17-8-9)19(15(16)18-13)10(2)7-12-5-4-11(3)20-12/h4-6,8,10H,7H2,1-3H3,(H2,16,18).
What are the key properties of 6-methyl-3-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazo[4,5-b]pyridin-2-amine?
6-methyl-3-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazo[4,5-b]pyridin-2-amine has a molecular weight of 286.40 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79300915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).