2-[3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetonitrile

C19H15F3N6S — CID 138533577

IUPAC2-[3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetonitrile
SMILESCCSc1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(CC#N)ccn12
InChIInChI=1S/C19H15F3N6S/c1-3-29-18-15(26-14-8-11(4-6-23)5-7-28(14)18)17-25-13-9-12(19(20,21)22)10-24-16(13)27(17)2/h5,7-10H,3-4H2,1-2H3
InChIKeyOWNCFGLXISOAFF-UHFFFAOYSA-N
MW416.43 g/mol
LogP4.48
Rot. Bonds4

About 2-[3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetonitrile

2-[3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetonitrile (PubChem CID 138533577) has the molecular formula C19H15F3N6S and a molecular weight of 416.43 g/mol. Its IUPAC name is 2-[3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetonitrile
PubChem CID138533577
Molecular FormulaC19H15F3N6S
Molecular Weight416.43 g/mol
Exact Mass416.10
IUPAC Name2-[3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetonitrile
SMILESCCSc1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(CC#N)ccn12
InChIInChI=1S/C19H15F3N6S/c1-3-29-18-15(26-14-8-11(4-6-23)5-7-28(14)18)17-25-13-9-12(19(20,21)22)10-24-16(13)27(17)2/h5,7-10H,3-4H2,1-2H3
InChIKeyOWNCFGLXISOAFF-UHFFFAOYSA-N
XLogP4.48
TPSA71.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetonitrile 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

O-(cyclopropylmethyl) N-[3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamothioate
CID 138533572
2-(5-ethyl-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 162488587
2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine
CID 90275803
2-(2-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 155390432
4,7-bis(ethylsulfanyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline
CID 154691028
2-methyl-2-[5-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]propanenitrile
CID 171789668
2-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]acetic acid
CID 175052393
1-[2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-b]pyridin-6-yl]cyclopropane-1-carbonitrile
CID 137396972
2-(3,6-dimethyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 149142899
2-(3-ethylsulfanyl-5-methyl-2-pyridinyl)-3-methylimidazo[4,5-b]pyridine-6-thiol;2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-b]pyridine-6-thiol
CID 160561559
2-(3-ethylsulfanyl-5-methylindazol-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 158043161
N-amino-N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]methanimidamide
CID 162598679

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetonitrile?
The IUPAC name of 2-[3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetonitrile (CID 138533577) is 2-[3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetonitrile.
What is the SMILES notation for 2-[3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetonitrile?
The canonical SMILES for 2-[3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetonitrile is CCSc1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(CC#N)ccn12.
What is the InChIKey of 2-[3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetonitrile?
The InChIKey is OWNCFGLXISOAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6S/c1-3-29-18-15(26-14-8-11(4-6-23)5-7-28(14)18)17-25-13-9-12(19(20,21)22)10-24-16(13)27(17)2/h5,7-10H,3-4H2,1-2H3.
What are the key properties of 2-[3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetonitrile?
2-[3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetonitrile has a molecular weight of 416.43 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetonitrile is sourced from PubChem (CID 138533577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).