1-[5-ethylsulfinyl-6-[5-methoxy-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]cyclopropane-1-carbonitrile

C20H18F3N5O3S — CID 134466910

IUPAC1-[5-ethylsulfinyl-6-[5-methoxy-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]cyclopropane-1-carbonitrile
SMILESCCS(=O)c1cc(C2(C#N)CC2)cnc1-c1nc2cc(C(F)(F)F)n(OC)c(=O)c2n1C
InChIInChI=1S/C20H18F3N5O3S/c1-4-32(30)13-7-11(19(10-24)5-6-19)9-25-15(13)17-26-12-8-14(20(21,22)23)28(31-3)18(29)16(12)27(17)2/h7-9H,4-6H2,1-3H3
InChIKeyGAJCHBNGDVTSRQ-UHFFFAOYSA-N
MW465.46 g/mol
LogP2.56
Rot. Bonds5

About 1-[5-ethylsulfinyl-6-[5-methoxy-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]cyclopropane-1-carbonitrile

1-[5-ethylsulfinyl-6-[5-methoxy-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]cyclopropane-1-carbonitrile (PubChem CID 134466910) has the molecular formula C20H18F3N5O3S and a molecular weight of 465.46 g/mol. Its IUPAC name is 1-[5-ethylsulfinyl-6-[5-methoxy-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[5-ethylsulfinyl-6-[5-methoxy-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]cyclopropane-1-carbonitrile
PubChem CID134466910
Molecular FormulaC20H18F3N5O3S
Molecular Weight465.46 g/mol
Exact Mass465.11
IUPAC Name1-[5-ethylsulfinyl-6-[5-methoxy-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]cyclopropane-1-carbonitrile
SMILESCCS(=O)c1cc(C2(C#N)CC2)cnc1-c1nc2cc(C(F)(F)F)n(OC)c(=O)c2n1C
InChIInChI=1S/C20H18F3N5O3S/c1-4-32(30)13-7-11(19(10-24)5-6-19)9-25-15(13)17-26-12-8-14(20(21,22)23)28(31-3)18(29)16(12)27(17)2/h7-9H,4-6H2,1-3H3
InChIKeyGAJCHBNGDVTSRQ-UHFFFAOYSA-N
XLogP2.56
TPSA102.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[5-ethylsulfinyl-6-[5-methoxy-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]cyclopropane-1-carbonitrile with MolForge

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Related Compounds

CID 118865133
CID 118865133
CID 118865141
CID 118865141
CID 118865144
CID 118865144
CID 118900946
CID 118900946
CID 118900947
CID 118900947
CID 118900957
CID 118900957
CID 118900958
CID 118900958
CID 118900959
CID 118900959
CID 118900962
CID 118900962
CID 124171308
CID 124171308
CID 124171335
CID 124171335
CID 129164644
CID 129164644

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethylsulfinyl-6-[5-methoxy-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[5-ethylsulfinyl-6-[5-methoxy-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]cyclopropane-1-carbonitrile (CID 134466910) is 1-[5-ethylsulfinyl-6-[5-methoxy-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[5-ethylsulfinyl-6-[5-methoxy-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[5-ethylsulfinyl-6-[5-methoxy-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]cyclopropane-1-carbonitrile is CCS(=O)c1cc(C2(C#N)CC2)cnc1-c1nc2cc(C(F)(F)F)n(OC)c(=O)c2n1C.
What is the InChIKey of 1-[5-ethylsulfinyl-6-[5-methoxy-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]cyclopropane-1-carbonitrile?
The InChIKey is GAJCHBNGDVTSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O3S/c1-4-32(30)13-7-11(19(10-24)5-6-19)9-25-15(13)17-26-12-8-14(20(21,22)23)28(31-3)18(29)16(12)27(17)2/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-[5-ethylsulfinyl-6-[5-methoxy-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]cyclopropane-1-carbonitrile?
1-[5-ethylsulfinyl-6-[5-methoxy-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]cyclopropane-1-carbonitrile has a molecular weight of 465.46 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethylsulfinyl-6-[5-methoxy-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 134466910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).