1-[4-[5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile

C24H21F3N6OS — CID 146290140

IUPAC1-[4-[5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile
SMILESCCS(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc(-c2ccc(C3(C#N)CC3)cc2)n1C
InChIInChI=1S/C24H21F3N6OS/c1-4-35(34)22-18(21-30-17-11-16(24(25,26)27)12-29-20(17)32(21)2)31-19(33(22)3)14-5-7-15(8-6-14)23(13-28)9-10-23/h5-8,11-12H,4,9-10H2,1-3H3
InChIKeyKFAPFCLLRCYKHX-UHFFFAOYSA-N
MW498.53 g/mol
LogP4.74
Rot. Bonds5

About 1-[4-[5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile

1-[4-[5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile (PubChem CID 146290140) has the molecular formula C24H21F3N6OS and a molecular weight of 498.53 g/mol. Its IUPAC name is 1-[4-[5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-[5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile
PubChem CID146290140
Molecular FormulaC24H21F3N6OS
Molecular Weight498.53 g/mol
Exact Mass498.14
IUPAC Name1-[4-[5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile
SMILESCCS(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc(-c2ccc(C3(C#N)CC3)cc2)n1C
InChIInChI=1S/C24H21F3N6OS/c1-4-35(34)22-18(21-30-17-11-16(24(25,26)27)12-29-20(17)32(21)2)31-19(33(22)3)14-5-7-15(8-6-14)23(13-28)9-10-23/h5-8,11-12H,4,9-10H2,1-3H3
InChIKeyKFAPFCLLRCYKHX-UHFFFAOYSA-N
XLogP4.74
TPSA89.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.53
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile with MolForge

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Related Compounds

1-[4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinolin-7-yl]cyclopropane-1-carbonitrile
CID 154691055
1-[2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-b]pyridin-6-yl]cyclopropane-1-carbonitrile
CID 137396972
1-[6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridin-2-yl]-5-ethylsulfanyl-3-pyridinyl]cyclopropane-1-carbonitrile
CID 146272307
1-[4-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethylsulfonyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]phenyl]cyclopropane-1-carbonitrile
CID 167506917
3-(4-chlorophenyl)-5-[5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4,5-dihydro-1,2-oxazole
CID 146290094
2-(3-ethylsulfinyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 71250990
1-[5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(4-fluorophenyl)pyrrole-3-carbonitrile
CID 146290101
5-[5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole
CID 146290104
2-(3-ethylsulfinyl-4-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66600583
7-ethylsulfinyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 134202400
2-(5-cyclobutyl-3-ethylsulfinyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 145101036
3-ethylsulfinyl-5,7-dimethyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 166806497

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[4-[5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile (CID 146290140) is 1-[4-[5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[4-[5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[4-[5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile is CCS(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc(-c2ccc(C3(C#N)CC3)cc2)n1C.
What is the InChIKey of 1-[4-[5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile?
The InChIKey is KFAPFCLLRCYKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6OS/c1-4-35(34)22-18(21-30-17-11-16(24(25,26)27)12-29-20(17)32(21)2)31-19(33(22)3)14-5-7-15(8-6-14)23(13-28)9-10-23/h5-8,11-12H,4,9-10H2,1-3H3.
What are the key properties of 1-[4-[5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile?
1-[4-[5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile has a molecular weight of 498.53 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 146290140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).