3-[(4,5-dimethylthiophen-2-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine

C14H16N4S — CID 79293783

IUPAC3-[(4,5-dimethylthiophen-2-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1cc(Cn2c(N)nc3c(C)ccnc32)sc1C
InChIInChI=1S/C14H16N4S/c1-8-4-5-16-13-12(8)17-14(15)18(13)7-11-6-9(2)10(3)19-11/h4-6H,7H2,1-3H3,(H2,15,17)
InChIKeyLSARQBBRQGJLCA-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.05
Rot. Bonds2

About 3-[(4,5-dimethylthiophen-2-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine

3-[(4,5-dimethylthiophen-2-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 79293783) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 3-[(4,5-dimethylthiophen-2-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-[(4,5-dimethylthiophen-2-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID79293783
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name3-[(4,5-dimethylthiophen-2-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1cc(Cn2c(N)nc3c(C)ccnc32)sc1C
InChIInChI=1S/C14H16N4S/c1-8-4-5-16-13-12(8)17-14(15)18(13)7-11-6-9(2)10(3)19-11/h4-6H,7H2,1-3H3,(H2,15,17)
InChIKeyLSARQBBRQGJLCA-UHFFFAOYSA-N
XLogP3.05
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethylthiophen-2-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-[(4,5-dimethylthiophen-2-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine (CID 79293783) is 3-[(4,5-dimethylthiophen-2-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-[(4,5-dimethylthiophen-2-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-[(4,5-dimethylthiophen-2-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine is Cc1cc(Cn2c(N)nc3c(C)ccnc32)sc1C.
What is the InChIKey of 3-[(4,5-dimethylthiophen-2-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is LSARQBBRQGJLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-8-4-5-16-13-12(8)17-14(15)18(13)7-11-6-9(2)10(3)19-11/h4-6H,7H2,1-3H3,(H2,15,17).
What are the key properties of 3-[(4,5-dimethylthiophen-2-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
3-[(4,5-dimethylthiophen-2-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 272.38 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethylthiophen-2-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79293783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).