1-[2-[3,5-dimethyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile

C22H19F3N6O3S — CID 139494467

IUPAC1-[2-[3,5-dimethyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)n(C)c(=O)c3n2C)nc2cc(C3(C#N)CC3)ccn12
InChIInChI=1S/C22H19F3N6O3S/c1-4-35(33,34)20-16(28-15-9-12(5-8-31(15)20)21(11-26)6-7-21)18-27-13-10-14(22(23,24)25)29(2)19(32)17(13)30(18)3/h5,8-10H,4,6-7H2,1-3H3
InChIKeyJUCUCCLRBRATGW-UHFFFAOYSA-N
MW504.49 g/mol
LogP2.95
Rot. Bonds4

About 1-[2-[3,5-dimethyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile

1-[2-[3,5-dimethyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile (PubChem CID 139494467) has the molecular formula C22H19F3N6O3S and a molecular weight of 504.49 g/mol. Its IUPAC name is 1-[2-[3,5-dimethyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-[3,5-dimethyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile
PubChem CID139494467
Molecular FormulaC22H19F3N6O3S
Molecular Weight504.49 g/mol
Exact Mass504.12
IUPAC Name1-[2-[3,5-dimethyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)n(C)c(=O)c3n2C)nc2cc(C3(C#N)CC3)ccn12
InChIInChI=1S/C22H19F3N6O3S/c1-4-35(33,34)20-16(28-15-9-12(5-8-31(15)20)21(11-26)6-7-21)18-27-13-10-14(22(23,24)25)29(2)19(32)17(13)30(18)3/h5,8-10H,4,6-7H2,1-3H3
InChIKeyJUCUCCLRBRATGW-UHFFFAOYSA-N
XLogP2.95
TPSA115.05 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.49
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[2-[3,5-dimethyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile with MolForge

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Related Compounds

1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile
CID 138533755
2-(3-ethylsulfonyl-7,7-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridin-2-yl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 139494299
carbon dioxide;1-(2-ethyl-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl)cyclopropane-1-carbonitrile
CID 159417840
1-[3-ethylsulfonyl-2-[5-oxo-3-(trifluoromethyl)-7H-pyrrolo[3,4-b]pyridin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile
CID 165147730
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
2-(3-ethylsulfonyl-5-iodothiophen-2-yl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 122640411
1-[4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinolin-7-yl]cyclopropane-1-carbonitrile
CID 154691055
1-[6-[6-[5-cyclopropyl-6-(1,1-difluoroethyl)-3-methyl-4-oxoimidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carbonitrile
CID 167506803
2,3,5-trimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 166152799
2-(6-amino-5-bromo-3-ethylsulfonyl-2-pyridinyl)-5-ethyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 135333725
2-[3-ethylsulfonyl-6-(triazol-2-yl)-2-pyridinyl]-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 134466883
6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-2-carboxylic acid
CID 135333610

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3,5-dimethyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[2-[3,5-dimethyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile (CID 139494467) is 1-[2-[3,5-dimethyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[2-[3,5-dimethyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[2-[3,5-dimethyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile is CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)n(C)c(=O)c3n2C)nc2cc(C3(C#N)CC3)ccn12.
What is the InChIKey of 1-[2-[3,5-dimethyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile?
The InChIKey is JUCUCCLRBRATGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O3S/c1-4-35(33,34)20-16(28-15-9-12(5-8-31(15)20)21(11-26)6-7-21)18-27-13-10-14(22(23,24)25)29(2)19(32)17(13)30(18)3/h5,8-10H,4,6-7H2,1-3H3.
What are the key properties of 1-[2-[3,5-dimethyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile?
1-[2-[3,5-dimethyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile has a molecular weight of 504.49 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3,5-dimethyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 139494467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).