2-[2-(4-chloropyrazol-1-yl)-5-ethylsulfanyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C17H15ClF3N7S — CID 135235222

IUPAC2-[2-(4-chloropyrazol-1-yl)-5-ethylsulfanyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nc(-n2cc(Cl)cn2)n1C
InChIInChI=1S/C17H15ClF3N7S/c1-4-29-15-13(25-16(27(15)3)28-8-9(18)6-23-28)14-24-10-5-12(17(19,20)21)22-7-11(10)26(14)2/h5-8H,4H2,1-3H3
InChIKeyNHCKAZWMTNGTIB-UHFFFAOYSA-N
MW441.87 g/mol
LogP4.34
Rot. Bonds4

About 2-[2-(4-chloropyrazol-1-yl)-5-ethylsulfanyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

2-[2-(4-chloropyrazol-1-yl)-5-ethylsulfanyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 135235222) has the molecular formula C17H15ClF3N7S and a molecular weight of 441.87 g/mol. Its IUPAC name is 2-[2-(4-chloropyrazol-1-yl)-5-ethylsulfanyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[2-(4-chloropyrazol-1-yl)-5-ethylsulfanyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID135235222
Molecular FormulaC17H15ClF3N7S
Molecular Weight441.87 g/mol
Exact Mass441.08
IUPAC Name2-[2-(4-chloropyrazol-1-yl)-5-ethylsulfanyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nc(-n2cc(Cl)cn2)n1C
InChIInChI=1S/C17H15ClF3N7S/c1-4-29-15-13(25-16(27(15)3)28-8-9(18)6-23-28)14-24-10-5-12(17(19,20)21)22-7-11(10)26(14)2/h5-8H,4H2,1-3H3
InChIKeyNHCKAZWMTNGTIB-UHFFFAOYSA-N
XLogP4.34
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.87
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-bromo-5-ethylsulfanyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135222430
dilithium;tetrakis(chlorozinc(1+));bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine);bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine);dichloride
CID 163511414
2-(8-chloro-3-ethylsulfanyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 134274298
2-(3-ethylsulfanyl-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 134274320
2-[6-(3,5-dichloro-4-fluorophenyl)-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122430886
2-(2-bromo-5-ethylsulfanyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;ethyl 1-methylimidazole-4-carboxylate
CID 175893153
2-[4-chloro-5-(4-chlorophenyl)-3-ethylsulfanylthiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122641739
5-ethylsulfanyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-2-amine
CID 154980356
2-(5-ethylsulfanyl-1-methylimidazol-4-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine
CID 147923115
5-ethylsulfanyl-2-iodo-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol
CID 147995964
2-(4-ethylsulfonyl-1-methylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 175833312
2-(6-ethylsulfanylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 142460890

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloropyrazol-1-yl)-5-ethylsulfanyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-[2-(4-chloropyrazol-1-yl)-5-ethylsulfanyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 135235222) is 2-[2-(4-chloropyrazol-1-yl)-5-ethylsulfanyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[2-(4-chloropyrazol-1-yl)-5-ethylsulfanyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[2-(4-chloropyrazol-1-yl)-5-ethylsulfanyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nc(-n2cc(Cl)cn2)n1C.
What is the InChIKey of 2-[2-(4-chloropyrazol-1-yl)-5-ethylsulfanyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is NHCKAZWMTNGTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N7S/c1-4-29-15-13(25-16(27(15)3)28-8-9(18)6-23-28)14-24-10-5-12(17(19,20)21)22-7-11(10)26(14)2/h5-8H,4H2,1-3H3.
What are the key properties of 2-[2-(4-chloropyrazol-1-yl)-5-ethylsulfanyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-[2-(4-chloropyrazol-1-yl)-5-ethylsulfanyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 441.87 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloropyrazol-1-yl)-5-ethylsulfanyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 135235222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).