2-(5-cyclopropyl-4-ethylsulfanyl-1-pyridin-4-ylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C21H19F3N6S — CID 166141337

IUPAC2-(5-cyclopropyl-4-ethylsulfanyl-1-pyridin-4-ylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nn(-c2ccncc2)c1C1CC1
InChIInChI=1S/C21H19F3N6S/c1-3-31-19-17(28-30(18(19)12-4-5-12)13-6-8-25-9-7-13)20-27-14-10-16(21(22,23)24)26-11-15(14)29(20)2/h6-12H,3-5H2,1-2H3
InChIKeyCRMBOOXCXIQNRR-UHFFFAOYSA-N
MW444.49 g/mol
LogP5.22
Rot. Bonds5

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

2-(5-cyclopropyl-4-ethylsulfanyl-1-pyridin-4-ylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 166141337) has the molecular formula C21H19F3N6S and a molecular weight of 444.49 g/mol. Its IUPAC name is 2-(5-cyclopropyl-4-ethylsulfanyl-1-pyridin-4-ylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(5-cyclopropyl-4-ethylsulfanyl-1-pyridin-4-ylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID166141337
Molecular FormulaC21H19F3N6S
Molecular Weight444.49 g/mol
Exact Mass444.13
IUPAC Name2-(5-cyclopropyl-4-ethylsulfanyl-1-pyridin-4-ylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nn(-c2ccncc2)c1C1CC1
InChIInChI=1S/C21H19F3N6S/c1-3-31-19-17(28-30(18(19)12-4-5-12)13-6-8-25-9-7-13)20-27-14-10-16(21(22,23)24)26-11-15(14)29(20)2/h6-12H,3-5H2,1-2H3
InChIKeyCRMBOOXCXIQNRR-UHFFFAOYSA-N
XLogP5.22
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.49
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-cyclopropyl-2-ethylsulfanylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122430797
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
CID 146268991
CID 146268991
2-(2-bromo-5-ethylsulfanyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135222430
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
5-ethylsulfanyl-2-iodo-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol
CID 147995964
2-(5-ethylsulfanyl-1-methylimidazol-4-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine
CID 147923115
2-(6-ethylsulfanylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 142460890
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-[2-(4-chloropyrazol-1-yl)-5-ethylsulfanyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135235222
2-[6-(3,5-dichloro-4-fluorophenyl)-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122430886
2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol
CID 142621016

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-4-ethylsulfanyl-1-pyridin-4-ylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(5-cyclopropyl-4-ethylsulfanyl-1-pyridin-4-ylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 166141337) is 2-(5-cyclopropyl-4-ethylsulfanyl-1-pyridin-4-ylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(5-cyclopropyl-4-ethylsulfanyl-1-pyridin-4-ylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(5-cyclopropyl-4-ethylsulfanyl-1-pyridin-4-ylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nn(-c2ccncc2)c1C1CC1.
What is the InChIKey of 2-(5-cyclopropyl-4-ethylsulfanyl-1-pyridin-4-ylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is CRMBOOXCXIQNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6S/c1-3-31-19-17(28-30(18(19)12-4-5-12)13-6-8-25-9-7-13)20-27-14-10-16(21(22,23)24)26-11-15(14)29(20)2/h6-12H,3-5H2,1-2H3.
What are the key properties of 2-(5-cyclopropyl-4-ethylsulfanyl-1-pyridin-4-ylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-(5-cyclopropyl-4-ethylsulfanyl-1-pyridin-4-ylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 444.49 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-4-ethylsulfanyl-1-pyridin-4-ylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 166141337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).