3-(3-ethylsulfanylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine

C12H18N4S — CID 114248495

IUPAC3-(3-ethylsulfanylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine
SMILESCCSCCCn1c(N)nc2ccc(C)nc21
InChIInChI=1S/C12H18N4S/c1-3-17-8-4-7-16-11-10(15-12(16)13)6-5-9(2)14-11/h5-6H,3-4,7-8H2,1-2H3,(H2,13,15)
InChIKeyBABOZQJFPYATJY-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.47
Rot. Bonds5

About 3-(3-ethylsulfanylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine

3-(3-ethylsulfanylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 114248495) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 3-(3-ethylsulfanylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(3-ethylsulfanylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID114248495
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name3-(3-ethylsulfanylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine
SMILESCCSCCCn1c(N)nc2ccc(C)nc21
InChIInChI=1S/C12H18N4S/c1-3-17-8-4-7-16-11-10(15-12(16)13)6-5-9(2)14-11/h5-6H,3-4,7-8H2,1-2H3,(H2,13,15)
InChIKeyBABOZQJFPYATJY-UHFFFAOYSA-N
XLogP2.47
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-3-(3-ethylsulfanylpropyl)-5-methylimidazo[4,5-b]pyridine
CID 114248539
5-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)pentanamide
CID 106239996
5-methyl-3-(3-phenylpropyl)imidazo[4,5-b]pyridin-2-amine
CID 81138543
5-methoxy-3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-2-amine
CID 115322427
1-(3-ethylsulfanylpropyl)-5-iodobenzimidazol-2-amine
CID 114248498
3-(2,2-dimethylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81138929
5-methyl-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 114101096
3-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81136141
5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 81135716
2-(chloromethyl)-5-methyl-3-pentylimidazo[4,5-b]pyridine
CID 81136215
3-[(3-bromophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81138544
2-(chloromethyl)-3-hexyl-5-methylimidazo[4,5-b]pyridine
CID 81135625

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylsulfanylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-(3-ethylsulfanylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine (CID 114248495) is 3-(3-ethylsulfanylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-(3-ethylsulfanylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-(3-ethylsulfanylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine is CCSCCCn1c(N)nc2ccc(C)nc21.
What is the InChIKey of 3-(3-ethylsulfanylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is BABOZQJFPYATJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-3-17-8-4-7-16-11-10(15-12(16)13)6-5-9(2)14-11/h5-6H,3-4,7-8H2,1-2H3,(H2,13,15).
What are the key properties of 3-(3-ethylsulfanylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine?
3-(3-ethylsulfanylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 250.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylsulfanylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 114248495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).