N-[N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-S-methylsulfonimidoyl]-N-methylmethanamine

C18H21F3N6O3S2 — CID 138560489

IUPACN-[N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-S-methylsulfonimidoyl]-N-methylmethanamine
SMILESCCS(=O)(=O)c1cc(N=S(C)(=O)N(C)C)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C18H21F3N6O3S2/c1-6-32(29,30)14-7-11(25-31(5,28)26(2)3)9-23-16(14)17-24-12-8-15(18(19,20)21)22-10-13(12)27(17)4/h7-10H,6H2,1-5H3
InChIKeyWOKNLYUDMZTHBV-UHFFFAOYSA-N
MW490.53 g/mol
LogP3.05
Rot. Bonds5

About N-[N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-S-methylsulfonimidoyl]-N-methylmethanamine

N-[N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-S-methylsulfonimidoyl]-N-methylmethanamine (PubChem CID 138560489) has the molecular formula C18H21F3N6O3S2 and a molecular weight of 490.53 g/mol. Its IUPAC name is N-[N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-S-methylsulfonimidoyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-S-methylsulfonimidoyl]-N-methylmethanamine
PubChem CID138560489
Molecular FormulaC18H21F3N6O3S2
Molecular Weight490.53 g/mol
Exact Mass490.11
IUPAC NameN-[N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-S-methylsulfonimidoyl]-N-methylmethanamine
SMILESCCS(=O)(=O)c1cc(N=S(C)(=O)N(C)C)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C18H21F3N6O3S2/c1-6-32(29,30)14-7-11(25-31(5,28)26(2)3)9-23-16(14)17-24-12-8-15(18(19,20)21)22-10-13(12)27(17)4/h7-10H,6H2,1-5H3
InChIKeyWOKNLYUDMZTHBV-UHFFFAOYSA-N
XLogP3.05
TPSA110.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-S-methylsulfonimidoyl]-N-methylmethanamine 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

cyclopropyl-[[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane
CID 146208759
2-[5-(2,2-difluorocyclopropyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 118892619
N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N,2,2-trimethylpropanamide
CID 151576952
2-ethyl-2-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]butanenitrile
CID 142414423
N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide
CID 142465539
2-[3-ethylsulfonyl-5-(4-ethylsulfonylphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 118656836
2-[5-(2,2-difluoropropoxy)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 150988323
[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxymethyl-trimethylsilane
CID 148534407
5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol;methanesulfinate
CID 159120997
2-[5-(6-chloro-5-methyl-3-pyridinyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 130438487
N-(diethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide
CID 146403236
2-(4-ethylsulfonyl-1-methylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 175833312

Frequently Asked Questions

What is the IUPAC name of N-[N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-S-methylsulfonimidoyl]-N-methylmethanamine?
The IUPAC name of N-[N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-S-methylsulfonimidoyl]-N-methylmethanamine (CID 138560489) is N-[N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-S-methylsulfonimidoyl]-N-methylmethanamine.
What is the SMILES notation for N-[N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-S-methylsulfonimidoyl]-N-methylmethanamine?
The canonical SMILES for N-[N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-S-methylsulfonimidoyl]-N-methylmethanamine is CCS(=O)(=O)c1cc(N=S(C)(=O)N(C)C)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of N-[N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-S-methylsulfonimidoyl]-N-methylmethanamine?
The InChIKey is WOKNLYUDMZTHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N6O3S2/c1-6-32(29,30)14-7-11(25-31(5,28)26(2)3)9-23-16(14)17-24-12-8-15(18(19,20)21)22-10-13(12)27(17)4/h7-10H,6H2,1-5H3.
What are the key properties of N-[N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-S-methylsulfonimidoyl]-N-methylmethanamine?
N-[N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-S-methylsulfonimidoyl]-N-methylmethanamine has a molecular weight of 490.53 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-S-methylsulfonimidoyl]-N-methylmethanamine is sourced from PubChem (CID 138560489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).