2-[5-(3,5-difluoro-2-pyridinyl)-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine

C21H14F7N5S — CID 146383925

IUPAC2-[5-(3,5-difluoro-2-pyridinyl)-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine
SMILESCCSc1cc(-c2ncc(F)cc2F)cnc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2n1C
InChIInChI=1S/C21H14F7N5S/c1-3-34-15-4-10(17-12(23)5-11(22)8-31-17)7-30-18(15)19-32-13-6-16(20(24,25)21(26,27)28)29-9-14(13)33(19)2/h4-9H,3H2,1-2H3
InChIKeyMYJPKSDJJACCMI-UHFFFAOYSA-N
MW501.43 g/mol
LogP6.14
Rot. Bonds5

About 2-[5-(3,5-difluoro-2-pyridinyl)-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine

2-[5-(3,5-difluoro-2-pyridinyl)-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine (PubChem CID 146383925) has the molecular formula C21H14F7N5S and a molecular weight of 501.43 g/mol. Its IUPAC name is 2-[5-(3,5-difluoro-2-pyridinyl)-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-(3,5-difluoro-2-pyridinyl)-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine
PubChem CID146383925
Molecular FormulaC21H14F7N5S
Molecular Weight501.43 g/mol
Exact Mass501.09
IUPAC Name2-[5-(3,5-difluoro-2-pyridinyl)-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine
SMILESCCSc1cc(-c2ncc(F)cc2F)cnc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2n1C
InChIInChI=1S/C21H14F7N5S/c1-3-34-15-4-10(17-12(23)5-11(22)8-31-17)7-30-18(15)19-32-13-6-16(20(24,25)21(26,27)28)29-9-14(13)33(19)2/h4-9H,3H2,1-2H3
InChIKeyMYJPKSDJJACCMI-UHFFFAOYSA-N
XLogP6.14
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.43
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-ethylsulfanyl-1-methylimidazol-4-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine
CID 147923115
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
3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]thieno[2,3-b]pyridine
CID 130380491
5-ethylsulfanyl-2-iodo-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol
CID 147995964
2-[[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]propanenitrile
CID 150882893
2-[6-(3,5-dichloro-4-fluorophenyl)-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122430886
2-[5-[(1E,3Z)-2-chloropenta-1,3-dienyl]-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 145301709
2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-c]pyridine
CID 138497914
N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-3,3,3-trifluoro-N-methylpropanamide
CID 142621049
2-(2-bromo-5-ethylsulfanyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135222430
5-ethylsulfanyl-2-(2-methylprop-2-enyl)-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]phenol
CID 162575847
5-ethylsulfanyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-2-amine
CID 154980356

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,5-difluoro-2-pyridinyl)-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-[5-(3,5-difluoro-2-pyridinyl)-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine (CID 146383925) is 2-[5-(3,5-difluoro-2-pyridinyl)-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-(3,5-difluoro-2-pyridinyl)-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-(3,5-difluoro-2-pyridinyl)-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine is CCSc1cc(-c2ncc(F)cc2F)cnc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2n1C.
What is the InChIKey of 2-[5-(3,5-difluoro-2-pyridinyl)-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine?
The InChIKey is MYJPKSDJJACCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F7N5S/c1-3-34-15-4-10(17-12(23)5-11(22)8-31-17)7-30-18(15)19-32-13-6-16(20(24,25)21(26,27)28)29-9-14(13)33(19)2/h4-9H,3H2,1-2H3.
What are the key properties of 2-[5-(3,5-difluoro-2-pyridinyl)-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine?
2-[5-(3,5-difluoro-2-pyridinyl)-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine has a molecular weight of 501.43 g/mol, XLogP of 6.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,5-difluoro-2-pyridinyl)-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 146383925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).