2-(1-amino-3-methylsulfanylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine

C11H17N5S — CID 79821204

IUPAC2-(1-amino-3-methylsulfanylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(C(N)CCSC)nc2n1
InChIInChI=1S/C11H17N5S/c1-13-9-4-3-8-11(15-9)16-10(14-8)7(12)5-6-17-2/h3-4,7H,5-6,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyCRXFYTGJKZDTCV-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.75
Rot. Bonds5

About 2-(1-amino-3-methylsulfanylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine

2-(1-amino-3-methylsulfanylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79821204) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 2-(1-amino-3-methylsulfanylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(1-amino-3-methylsulfanylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79821204
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name2-(1-amino-3-methylsulfanylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(C(N)CCSC)nc2n1
InChIInChI=1S/C11H17N5S/c1-13-9-4-3-8-11(15-9)16-10(14-8)7(12)5-6-17-2/h3-4,7H,5-6,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyCRXFYTGJKZDTCV-UHFFFAOYSA-N
XLogP1.75
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(1-amino-3-methylsulfanylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-3-[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 79821202
2-(4-aminobutan-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 80539697
2-(1-amino-2,2-dimethylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821815
1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 2771995
2-(3-amino-3-phenylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79817329
2-ethyl-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821418
N-methyl-2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821248
2-(1-amino-3-phenylpropyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 114917465
N-methyl-2-(1,1,2,2-tetrafluoroethyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79822033
N-methyl-2-[2-(methylamino)propan-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821379
N-methyl-2-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821491
1-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylpropan-1-amine
CID 114917451

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methylsulfanylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(1-amino-3-methylsulfanylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (CID 79821204) is 2-(1-amino-3-methylsulfanylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(1-amino-3-methylsulfanylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(1-amino-3-methylsulfanylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is CNc1ccc2[nH]c(C(N)CCSC)nc2n1.
What is the InChIKey of 2-(1-amino-3-methylsulfanylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is CRXFYTGJKZDTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-13-9-4-3-8-11(15-9)16-10(14-8)7(12)5-6-17-2/h3-4,7H,5-6,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-(1-amino-3-methylsulfanylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
2-(1-amino-3-methylsulfanylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 251.36 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methylsulfanylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79821204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).