N-ethyl-2-(pyridin-2-ylmethylsulfinyl)-1H-imidazo[4,5-b]pyridin-5-amine

C14H15N5OS — CID 110183098

IUPACN-ethyl-2-(pyridin-2-ylmethylsulfinyl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCCNc1ccc2[nH]c(S(=O)Cc3ccccn3)nc2n1
InChIInChI=1S/C14H15N5OS/c1-2-15-12-7-6-11-13(18-12)19-14(17-11)21(20)9-10-5-3-4-8-16-10/h3-8H,2,9H2,1H3,(H2,15,17,18,19)
InChIKeyIXUSAVMIEFCOPZ-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.09
Rot. Bonds5

About N-ethyl-2-(pyridin-2-ylmethylsulfinyl)-1H-imidazo[4,5-b]pyridin-5-amine

N-ethyl-2-(pyridin-2-ylmethylsulfinyl)-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 110183098) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is N-ethyl-2-(pyridin-2-ylmethylsulfinyl)-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound NameN-ethyl-2-(pyridin-2-ylmethylsulfinyl)-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID110183098
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC NameN-ethyl-2-(pyridin-2-ylmethylsulfinyl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCCNc1ccc2[nH]c(S(=O)Cc3ccccn3)nc2n1
InChIInChI=1S/C14H15N5OS/c1-2-15-12-7-6-11-13(18-12)19-14(17-11)21(20)9-10-5-3-4-8-16-10/h3-8H,2,9H2,1H3,(H2,15,17,18,19)
InChIKeyIXUSAVMIEFCOPZ-UHFFFAOYSA-N
XLogP2.09
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-ethyl-2-(pyridin-2-ylmethylsulfinyl)-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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(pyridin-2-ylmethylsulfinyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of N-ethyl-2-(pyridin-2-ylmethylsulfinyl)-1H-imidazo[4,5-b]pyridin-5-amine (CID 110183098) is N-ethyl-2-(pyridin-2-ylmethylsulfinyl)-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for N-ethyl-2-(pyridin-2-ylmethylsulfinyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for N-ethyl-2-(pyridin-2-ylmethylsulfinyl)-1H-imidazo[4,5-b]pyridin-5-amine is CCNc1ccc2[nH]c(S(=O)Cc3ccccn3)nc2n1.
What is the InChIKey of N-ethyl-2-(pyridin-2-ylmethylsulfinyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is IXUSAVMIEFCOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-2-15-12-7-6-11-13(18-12)19-14(17-11)21(20)9-10-5-3-4-8-16-10/h3-8H,2,9H2,1H3,(H2,15,17,18,19).
What are the key properties of N-ethyl-2-(pyridin-2-ylmethylsulfinyl)-1H-imidazo[4,5-b]pyridin-5-amine?
N-ethyl-2-(pyridin-2-ylmethylsulfinyl)-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 301.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(pyridin-2-ylmethylsulfinyl)-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 110183098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).