3-(1,1-difluoroethyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;1-[4-[3-(1,1-difluoroethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine

C106H78F24N22O8 — CID 161239568

IUPAC3-(1,1-difluoroethyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;1-[4-[3-(1,1-difluoroethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine
SMILESCC(F)(F)c1cnn2ccc(-c3ccc(C4(C#N)CC4)cc3)nc12.CC(F)(F)c1cnn2ccc(-c3ccc(OCC(F)(F)F)nc3)nc12.COc1cc(OC(F)(F)F)ccc1-c1ccn2nccc2c1.COc1cc(OC(F)(F)F)ccc1-c1ccn2nccc2n1.Cc1cc(OC(F)(F)F)ccc1-c1cc2c(C(C)(F)F)cnn2cn1.Cc1cc(OC(F)(F)F)ccc1-c1cc2ccnn2cn1.FC(F)(F)COc1ccc(-c2ccn3nccc3c2)cn1
InChIInChI=1S/C18H14F2N4.C16H12F5N3O.C15H11F5N4O.C15H11F3N2O2.C14H10F3N3O2.2C14H10F3N3O/c1-17(19,20)14-10-22-24-9-6-15(23-16(14)24)12-2-4-13(5-3-12)18(11-21)7-8-18;1-9-5-10(25-16(19,20)21)3-4-11(9)13-6-14-12(15(2,17)18)7-23-24(14)8-22-13;1-14(16,17)10-7-22-24-5-4-11(23-13(10)24)9-2-3-12(21-6-9)25-8-15(18,19)20;1-21-14-9-12(22-15(16,17)18)2-3-13(14)10-5-7-20-11(8-10)4-6-19-20;1-21-12-8-9(22-14(15,16)17)2-3-10(12)11-5-7-20-13(19-11)4-6-18-20;1-9-6-11(21-14(15,16)17)2-3-12(9)13-7-10-4-5-19-20(10)8-18-13;15-14(16,17)9-21-13-2-1-11(8-18-13)10-4-6-20-12(7-10)3-5-19-20/h2-6,9-10H,7-8H2,1H3;3-8H,1-2H3;2-7H,8H2,1H3;2-9H,1H3;2-8H,1H3;2-8H,1H3;1-8H,9H2
InChIKeyUZUYGRFOCKKQEJ-UHFFFAOYSA-N
MW2243.89 g/mol
LogP26.78
Rot. Bonds21

About 3-(1,1-difluoroethyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;1-[4-[3-(1,1-difluoroethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine

3-(1,1-difluoroethyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;1-[4-[3-(1,1-difluoroethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine (PubChem CID 161239568) has the molecular formula C106H78F24N22O8 and a molecular weight of 2243.89 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;1-[4-[3-(1,1-difluoroethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;1-[4-[3-(1,1-difluoroethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine
PubChem CID161239568
Molecular FormulaC106H78F24N22O8
Molecular Weight2243.89 g/mol
Exact Mass2242.60
IUPAC Name3-(1,1-difluoroethyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;1-[4-[3-(1,1-difluoroethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine
SMILESCC(F)(F)c1cnn2ccc(-c3ccc(C4(C#N)CC4)cc3)nc12.CC(F)(F)c1cnn2ccc(-c3ccc(OCC(F)(F)F)nc3)nc12.COc1cc(OC(F)(F)F)ccc1-c1ccn2nccc2c1.COc1cc(OC(F)(F)F)ccc1-c1ccn2nccc2n1.Cc1cc(OC(F)(F)F)ccc1-c1cc2c(C(C)(F)F)cnn2cn1.Cc1cc(OC(F)(F)F)ccc1-c1cc2ccnn2cn1.FC(F)(F)COc1ccc(-c2ccn3nccc3c2)cn1
InChIInChI=1S/C18H14F2N4.C16H12F5N3O.C15H11F5N4O.C15H11F3N2O2.C14H10F3N3O2.2C14H10F3N3O/c1-17(19,20)14-10-22-24-9-6-15(23-16(14)24)12-2-4-13(5-3-12)18(11-21)7-8-18;1-9-5-10(25-16(19,20)21)3-4-11(9)13-6-14-12(15(2,17)18)7-23-24(14)8-22-13;1-14(16,17)10-7-22-24-5-4-11(23-13(10)24)9-2-3-12(21-6-9)25-8-15(18,19)20;1-21-14-9-12(22-15(16,17)18)2-3-13(14)10-5-7-20-11(8-10)4-6-19-20;1-21-12-8-9(22-14(15,16)17)2-3-10(12)11-5-7-20-13(19-11)4-6-18-20;1-9-6-11(21-14(15,16)17)2-3-12(9)13-7-10-4-5-19-20(10)8-18-13;15-14(16,17)9-21-13-2-1-11(8-18-13)10-4-6-20-12(7-10)3-5-19-20/h2-6,9-10H,7-8H2,1H3;3-8H,1-2H3;2-7H,8H2,1H3;2-9H,1H3;2-8H,1H3;2-8H,1H3;1-8H,9H2
InChIKeyUZUYGRFOCKKQEJ-UHFFFAOYSA-N
XLogP26.78
TPSA308.96 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds21
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002243.89
LogP ≤ 526.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 3-(1,1-difluoroethyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;1-[4-[3-(1,1-difluoroethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine with MolForge

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Related Compounds

N-(3,5-difluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157068880
1-[4-[6-(1,1-Difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;1-[4-[6-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]phenyl]cyclopropane-1-carbonitrile;bis(3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine);3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine
CID 157071658
3-[difluoro(methoxy)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(2-methoxypropan-2-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-fluoro-2-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[[(2S)-oxan-2-yl]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[[(2R)-oxan-2-yl]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 157150882
6-(4-Cyclopropyl-2-methoxyphenyl)-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(2-methoxypropan-2-yl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-ethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 157179546
6-[4-(1-Cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)imidazo[1,5-a]pyrazin-6-yl]phenyl]cyclopropane-1-carbonitrile;7-(1,1-difluoroethyl)-2-[4-(trifluoromethoxy)phenyl]imidazo[1,5-b]pyridazine-5-carbonitrile;3-(1-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(3-fluoro-3-methylcyclobutyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine
CID 157183479
3-(1,1-Difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 157305654
6-(4-Fluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;4-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;3-[(6-methoxynaphthalen-1-yl)oxymethyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;7-methoxy-4-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline
CID 157351998
3-(1,1-Difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;2-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 157455809
CID 157477009
CID 157477009
3-Cyclopropyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclopropane-1-carbonitrile;3-(3-fluoro-3-methylcyclobutyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 157478349
1-[4-[6-(1,1-Difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;1-[4-[6-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]phenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine
CID 157566454
6-(4-Cyclopropyl-2-methoxyphenyl)-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile
CID 157573082

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;1-[4-[3-(1,1-difluoroethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-(1,1-difluoroethyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;1-[4-[3-(1,1-difluoroethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine (CID 161239568) is 3-(1,1-difluoroethyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;1-[4-[3-(1,1-difluoroethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-(1,1-difluoroethyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;1-[4-[3-(1,1-difluoroethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-(1,1-difluoroethyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;1-[4-[3-(1,1-difluoroethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine is CC(F)(F)c1cnn2ccc(-c3ccc(C4(C#N)CC4)cc3)nc12.CC(F)(F)c1cnn2ccc(-c3ccc(OCC(F)(F)F)nc3)nc12.COc1cc(OC(F)(F)F)ccc1-c1ccn2nccc2c1.COc1cc(OC(F)(F)F)ccc1-c1ccn2nccc2n1.Cc1cc(OC(F)(F)F)ccc1-c1cc2c(C(C)(F)F)cnn2cn1.Cc1cc(OC(F)(F)F)ccc1-c1cc2ccnn2cn1.FC(F)(F)COc1ccc(-c2ccn3nccc3c2)cn1.
What is the InChIKey of 3-(1,1-difluoroethyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;1-[4-[3-(1,1-difluoroethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine?
The InChIKey is UZUYGRFOCKKQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4.C16H12F5N3O.C15H11F5N4O.C15H11F3N2O2.C14H10F3N3O2.2C14H10F3N3O/c1-17(19,20)14-10-22-24-9-6-15(23-16(14)24)12-2-4-13(5-3-12)18(11-21)7-8-18;1-9-5-10(25-16(19,20)21)3-4-11(9)13-6-14-12(15(2,17)18)7-23-24(14)8-22-13;1-14(16,17)10-7-22-24-5-4-11(23-13(10)24)9-2-3-12(21-6-9)25-8-15(18,19)20;1-21-14-9-12(22-15(16,17)18)2-3-13(14)10-5-7-20-11(8-10)4-6-19-20;1-21-12-8-9(22-14(15,16)17)2-3-10(12)11-5-7-20-13(19-11)4-6-18-20;1-9-6-11(21-14(15,16)17)2-3-12(9)13-7-10-4-5-19-20(10)8-18-13;15-14(16,17)9-21-13-2-1-11(8-18-13)10-4-6-20-12(7-10)3-5-19-20/h2-6,9-10H,7-8H2,1H3;3-8H,1-2H3;2-7H,8H2,1H3;2-9H,1H3;2-8H,1H3;2-8H,1H3;1-8H,9H2.
What are the key properties of 3-(1,1-difluoroethyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;1-[4-[3-(1,1-difluoroethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine?
3-(1,1-difluoroethyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;1-[4-[3-(1,1-difluoroethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine has a molecular weight of 2243.89 g/mol, XLogP of 26.78, 21 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;1-[4-[3-(1,1-difluoroethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 161239568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).