6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane

C43H40F7N7O2 — CID 142362295

IUPAC6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane
SMILESCC.CC.CC(F)(F)c1nc(C#N)c2ccc(-c3ccc(C4(C#N)CC4)cc3)cn12.COCc1cc(OC(F)(F)F)ccc1-c1ccc2c(C#N)nc(C(C)(F)F)n2c1
InChIInChI=1S/C20H14F2N4.C19H14F5N3O2.2C2H6/c1-19(21,22)18-25-16(10-23)17-7-4-14(11-26(17)18)13-2-5-15(6-3-13)20(12-24)8-9-20;1-18(20,21)17-26-15(8-25)16-6-3-11(9-27(16)17)14-5-4-13(29-19(22,23)24)7-12(14)10-28-2;2*1-2/h2-7,11H,8-9H2,1H3;3-7,9H,10H2,1-2H3;2*1-2H3
InChIKeyQAVCHQSLJFUSGQ-UHFFFAOYSA-N
MW819.83 g/mol
LogP11.62
Rot. Bonds8

About 6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane

6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane (PubChem CID 142362295) has the molecular formula C43H40F7N7O2 and a molecular weight of 819.83 g/mol. Its IUPAC name is 6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane.

Molecular Properties

Compound Name6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane
PubChem CID142362295
Molecular FormulaC43H40F7N7O2
Molecular Weight819.83 g/mol
Exact Mass819.31
IUPAC Name6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane
SMILESCC.CC.CC(F)(F)c1nc(C#N)c2ccc(-c3ccc(C4(C#N)CC4)cc3)cn12.COCc1cc(OC(F)(F)F)ccc1-c1ccc2c(C#N)nc(C(C)(F)F)n2c1
InChIInChI=1S/C20H14F2N4.C19H14F5N3O2.2C2H6/c1-19(21,22)18-25-16(10-23)17-7-4-14(11-26(17)18)13-2-5-15(6-3-13)20(12-24)8-9-20;1-18(20,21)17-26-15(8-25)16-6-3-11(9-27(16)17)14-5-4-13(29-19(22,23)24)7-12(14)10-28-2;2*1-2/h2-7,11H,8-9H2,1H3;3-7,9H,10H2,1-2H3;2*1-2H3
InChIKeyQAVCHQSLJFUSGQ-UHFFFAOYSA-N
XLogP11.62
TPSA124.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.83
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane with MolForge

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Related Compounds

2-Ethyl-3-(1-methylbutyl)-7-[2-(trifluoromethyl)-4-methoxyphenyl]-3H-imidazo[4,5-b]pyridine
CID 44458682
2-((4-(2-methoxy-4-(trifluoromethyl)phenyl)piperidin-1-yl)methyl)-1-methyl-1H-imidazo[4,5-b]pyridine
CID 25008958
3-methyl-2-(((1R,5S)-6-((4-(trifluoromethyl)phenoxy)methyl)-3-aza-bicyclo[3.1.0]hexan-3-yl)methyl)-3H-imidazo[4,5-b]pyridine
CID 25050849
1-methyl-2-(((1R,5S)-6-((4-(trifluoromethyl)phenoxy)methyl)-3-aza-bicyclo[3.1.0]hexan-3-yl)methyl)-1H-imidazo[4,5-b]pyridine
CID 25051025
2-[[(3R,4R)-4-[2-fluoro-4-(trifluoromethoxy)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
CID 44178197
1-(1-Methylbutyl)-2-ethyl-4-[2-methyl-4-(difluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridine
CID 44274674
2-[[(3S,4S)-4-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
CID 51354014
2-[[(3S,4S)-4-[2-fluoro-4-(trifluoromethoxy)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
CID 51354020
2-((4-(2-Fluoro-4-(trifluoromethoxy)phenyl)piperidin-1-yl)methyl)-1-methyl-1H-imidazo[4,5-b]pyridine
CID 51357400
2-[[(3R,4R)-4-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
CID 51357936
1-[4-Imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]pyrrolo[1,2-a]pyrazine
CID 146025728
(8S)-8-(4-tert-butyl-3-methoxyphenyl)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 68073450

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane?
The IUPAC name of 6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane (CID 142362295) is 6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane.
What is the SMILES notation for 6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane?
The canonical SMILES for 6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane is CC.CC.CC(F)(F)c1nc(C#N)c2ccc(-c3ccc(C4(C#N)CC4)cc3)cn12.COCc1cc(OC(F)(F)F)ccc1-c1ccc2c(C#N)nc(C(C)(F)F)n2c1.
What is the InChIKey of 6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane?
The InChIKey is QAVCHQSLJFUSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4.C19H14F5N3O2.2C2H6/c1-19(21,22)18-25-16(10-23)17-7-4-14(11-26(17)18)13-2-5-15(6-3-13)20(12-24)8-9-20;1-18(20,21)17-26-15(8-25)16-6-3-11(9-27(16)17)14-5-4-13(29-19(22,23)24)7-12(14)10-28-2;2*1-2/h2-7,11H,8-9H2,1H3;3-7,9H,10H2,1-2H3;2*1-2H3.
What are the key properties of 6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane?
6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane has a molecular weight of 819.83 g/mol, XLogP of 11.62, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane is sourced from PubChem (CID 142362295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).