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

C37H22F9N7O2 — CID 142362261

IUPAC6-[4-(1-cyanocyclopropyl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile
SMILESCOCc1cc(OC(F)(F)F)ccc1-c1ccc2c(C#N)nc(C(F)(F)F)n2c1.N#Cc1nc(C(F)(F)F)n2cc(-c3ccc(C4(C#N)CC4)cc3)ccc12
InChIInChI=1S/C19H11F3N4.C18H11F6N3O2/c20-19(21,22)17-25-15(9-23)16-6-3-13(10-26(16)17)12-1-4-14(5-2-12)18(11-24)7-8-18;1-28-9-11-6-12(29-18(22,23)24)3-4-13(11)10-2-5-15-14(7-25)26-16(17(19,20)21)27(15)8-10/h1-6,10H,7-8H2;2-6,8H,9H2,1H3
InChIKeyVXOQZWFPXWKTRI-UHFFFAOYSA-N
MW767.61 g/mol
LogP9.38
Rot. Bonds6

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

6-[4-(1-cyanocyclopropyl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile (PubChem CID 142362261) has the molecular formula C37H22F9N7O2 and a molecular weight of 767.61 g/mol. Its IUPAC name is 6-[4-(1-cyanocyclopropyl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile.

Molecular Properties

Compound Name6-[4-(1-cyanocyclopropyl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile
PubChem CID142362261
Molecular FormulaC37H22F9N7O2
Molecular Weight767.61 g/mol
Exact Mass767.17
IUPAC Name6-[4-(1-cyanocyclopropyl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile
SMILESCOCc1cc(OC(F)(F)F)ccc1-c1ccc2c(C#N)nc(C(F)(F)F)n2c1.N#Cc1nc(C(F)(F)F)n2cc(-c3ccc(C4(C#N)CC4)cc3)ccc12
InChIInChI=1S/C19H11F3N4.C18H11F6N3O2/c20-19(21,22)17-25-15(9-23)16-6-3-13(10-26(16)17)12-1-4-14(5-2-12)18(11-24)7-8-18;1-28-9-11-6-12(29-18(22,23)24)3-4-13(11)10-2-5-15-14(7-25)26-16(17(19,20)21)27(15)8-10/h1-6,10H,7-8H2;2-6,8H,9H2,1H3
InChIKeyVXOQZWFPXWKTRI-UHFFFAOYSA-N
XLogP9.38
TPSA124.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.61
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[4-(1-cyanocyclopropyl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile 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
1-(5-Indol-1-yl-3-pyridinyl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 50902804
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-c]pyridine
CID 25050850
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
7-(4-Phenylmethoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
CID 46227786
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

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-cyanocyclopropyl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile?
The IUPAC name of 6-[4-(1-cyanocyclopropyl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile (CID 142362261) is 6-[4-(1-cyanocyclopropyl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile.
What is the SMILES notation for 6-[4-(1-cyanocyclopropyl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile?
The canonical SMILES for 6-[4-(1-cyanocyclopropyl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile is COCc1cc(OC(F)(F)F)ccc1-c1ccc2c(C#N)nc(C(F)(F)F)n2c1.N#Cc1nc(C(F)(F)F)n2cc(-c3ccc(C4(C#N)CC4)cc3)ccc12.
What is the InChIKey of 6-[4-(1-cyanocyclopropyl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile?
The InChIKey is VXOQZWFPXWKTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N4.C18H11F6N3O2/c20-19(21,22)17-25-15(9-23)16-6-3-13(10-26(16)17)12-1-4-14(5-2-12)18(11-24)7-8-18;1-28-9-11-6-12(29-18(22,23)24)3-4-13(11)10-2-5-15-14(7-25)26-16(17(19,20)21)27(15)8-10/h1-6,10H,7-8H2;2-6,8H,9H2,1H3.
What are the key properties of 6-[4-(1-cyanocyclopropyl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile?
6-[4-(1-cyanocyclopropyl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile has a molecular weight of 767.61 g/mol, XLogP of 9.38, 6 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-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile is sourced from PubChem (CID 142362261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).