1-[4-[6-(1,1-difluoroethylsulfanyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-3-ethylsulfanylphenyl]cyclopropane-1-carbonitrile

C21H20F2N4S2 — CID 153372135

IUPAC1-[4-[6-(1,1-difluoroethylsulfanyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-3-ethylsulfanylphenyl]cyclopropane-1-carbonitrile
SMILESCCSc1cc(C2(C#N)CC2)ccc1-c1nc2cc(SC(C)(F)F)ncc2n1C
InChIInChI=1S/C21H20F2N4S2/c1-4-28-17-9-13(21(12-24)7-8-21)5-6-14(17)19-26-15-10-18(29-20(2,22)23)25-11-16(15)27(19)3/h5-6,9-11H,4,7-8H2,1-3H3
InChIKeyGUZXDTWWFVNZKN-UHFFFAOYSA-N
MW430.55 g/mol
LogP6.01
Rot. Bonds6

About 1-[4-[6-(1,1-difluoroethylsulfanyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-3-ethylsulfanylphenyl]cyclopropane-1-carbonitrile

1-[4-[6-(1,1-difluoroethylsulfanyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-3-ethylsulfanylphenyl]cyclopropane-1-carbonitrile (PubChem CID 153372135) has the molecular formula C21H20F2N4S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-[4-[6-(1,1-difluoroethylsulfanyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-3-ethylsulfanylphenyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-[6-(1,1-difluoroethylsulfanyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-3-ethylsulfanylphenyl]cyclopropane-1-carbonitrile
PubChem CID153372135
Molecular FormulaC21H20F2N4S2
Molecular Weight430.55 g/mol
Exact Mass430.11
IUPAC Name1-[4-[6-(1,1-difluoroethylsulfanyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-3-ethylsulfanylphenyl]cyclopropane-1-carbonitrile
SMILESCCSc1cc(C2(C#N)CC2)ccc1-c1nc2cc(SC(C)(F)F)ncc2n1C
InChIInChI=1S/C21H20F2N4S2/c1-4-28-17-9-13(21(12-24)7-8-21)5-6-14(17)19-26-15-10-18(29-20(2,22)23)25-11-16(15)27(19)3/h5-6,9-11H,4,7-8H2,1-3H3
InChIKeyGUZXDTWWFVNZKN-UHFFFAOYSA-N
XLogP6.01
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-ethylsulfanyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]phenyl]cyclopropane-1-carbonitrile
CID 146269029
1-[6-[5-(1,1-difluoroethyl)-1-methylbenzimidazol-2-yl]-5-ethylsulfanyl-3-pyridinyl]cyclopropane-1-carbonitrile
CID 146272296
1-[5-ethylsulfanyl-6-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]-3-pyridinyl]cyclopropane-1-carbonitrile
CID 142548124
1-[6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridin-2-yl]-5-ethylsulfanyl-3-pyridinyl]cyclopropane-1-carbonitrile
CID 146272307
1-[2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-b]pyridin-6-yl]cyclopropane-1-carbonitrile
CID 137396972
2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-c]pyridine
CID 138497914
2-(5-cyclopropyl-2-ethylsulfanylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122430797
1-(5-ethylsulfanyl-6-fluoro-3-pyridinyl)cyclopropane-1-carbonitrile
CID 152893427
5-ethylsulfanyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-2-amine
CID 154980356
1-(6-chloro-5-ethylsulfanyl-3-pyridinyl)cyclopropane-1-carbonitrile
CID 146231680
5-ethylsulfanyl-2-(2-methylprop-2-enyl)-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]phenol
CID 162575847
N-[2-[5-(1-cyanocyclopropyl)-3-ethylsulfonyl-2-pyridinyl]-1-methylbenzimidazol-5-yl]-1,1,1-trifluoromethanesulfonamide
CID 175370853

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(1,1-difluoroethylsulfanyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-3-ethylsulfanylphenyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[4-[6-(1,1-difluoroethylsulfanyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-3-ethylsulfanylphenyl]cyclopropane-1-carbonitrile (CID 153372135) is 1-[4-[6-(1,1-difluoroethylsulfanyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-3-ethylsulfanylphenyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[4-[6-(1,1-difluoroethylsulfanyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-3-ethylsulfanylphenyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[4-[6-(1,1-difluoroethylsulfanyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-3-ethylsulfanylphenyl]cyclopropane-1-carbonitrile is CCSc1cc(C2(C#N)CC2)ccc1-c1nc2cc(SC(C)(F)F)ncc2n1C.
What is the InChIKey of 1-[4-[6-(1,1-difluoroethylsulfanyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-3-ethylsulfanylphenyl]cyclopropane-1-carbonitrile?
The InChIKey is GUZXDTWWFVNZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4S2/c1-4-28-17-9-13(21(12-24)7-8-21)5-6-14(17)19-26-15-10-18(29-20(2,22)23)25-11-16(15)27(19)3/h5-6,9-11H,4,7-8H2,1-3H3.
What are the key properties of 1-[4-[6-(1,1-difluoroethylsulfanyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-3-ethylsulfanylphenyl]cyclopropane-1-carbonitrile?
1-[4-[6-(1,1-difluoroethylsulfanyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-3-ethylsulfanylphenyl]cyclopropane-1-carbonitrile has a molecular weight of 430.55 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(1,1-difluoroethylsulfanyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-3-ethylsulfanylphenyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 153372135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).