bis(5-chloro-6-[5-chloro-2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);bis(5-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine

C100H104Cl6F15N15O10 — CID 159166034

IUPACbis(5-chloro-6-[5-chloro-2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);bis(5-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine
SMILESCCC(CC)c1nn(C)c2nc(-c3cc(Cl)c(OC(F)(F)F)cc3OC)c(Cl)cc12.CCC(CC)c1nn(C)c2nc(-c3cc(Cl)c(OC(F)(F)F)cc3OC)c(Cl)cc12.CCC(CC)c1nn(C)c2nc(-c3ccc(OC(F)(F)F)cc3OC)c(Cl)cc12.CCC(CC)c1nn(C)c2nc(-c3ccc(OC(F)(F)F)cc3OC)c(Cl)cc12.CCC(CC)c1nn(C)c2nc(-c3ccc(OC(F)(F)F)cc3OC)ccc12
InChIInChI=1S/2C20H20Cl2F3N3O2.2C20H21ClF3N3O2.C20H22F3N3O2/c2*1-5-10(6-2)17-12-8-14(22)18(26-19(12)28(3)27-17)11-7-13(21)16(9-15(11)29-4)30-20(23,24)25;2*1-5-11(6-2)17-14-10-15(21)18(25-19(14)27(3)26-17)13-8-7-12(9-16(13)28-4)29-20(22,23)24;1-5-12(6-2)18-15-9-10-16(24-19(15)26(3)25-18)14-8-7-13(11-17(14)27-4)28-20(21,22)23/h2*7-10H,5-6H2,1-4H3;2*7-11H,5-6H2,1-4H3;7-12H,5-6H2,1-4H3
InChIKeyKLBUFALYAIQAQE-UHFFFAOYSA-N
MW2173.71 g/mol
LogP31.15
Rot. Bonds30

About bis(5-chloro-6-[5-chloro-2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);bis(5-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine

bis(5-chloro-6-[5-chloro-2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);bis(5-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine (PubChem CID 159166034) has the molecular formula C100H104Cl6F15N15O10 and a molecular weight of 2173.71 g/mol. Its IUPAC name is bis(5-chloro-6-[5-chloro-2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);bis(5-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Namebis(5-chloro-6-[5-chloro-2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);bis(5-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine
PubChem CID159166034
Molecular FormulaC100H104Cl6F15N15O10
Molecular Weight2173.71 g/mol
Exact Mass2169.60
IUPAC Namebis(5-chloro-6-[5-chloro-2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);bis(5-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine
SMILESCCC(CC)c1nn(C)c2nc(-c3cc(Cl)c(OC(F)(F)F)cc3OC)c(Cl)cc12.CCC(CC)c1nn(C)c2nc(-c3cc(Cl)c(OC(F)(F)F)cc3OC)c(Cl)cc12.CCC(CC)c1nn(C)c2nc(-c3ccc(OC(F)(F)F)cc3OC)c(Cl)cc12.CCC(CC)c1nn(C)c2nc(-c3ccc(OC(F)(F)F)cc3OC)c(Cl)cc12.CCC(CC)c1nn(C)c2nc(-c3ccc(OC(F)(F)F)cc3OC)ccc12
InChIInChI=1S/2C20H20Cl2F3N3O2.2C20H21ClF3N3O2.C20H22F3N3O2/c2*1-5-10(6-2)17-12-8-14(22)18(26-19(12)28(3)27-17)11-7-13(21)16(9-15(11)29-4)30-20(23,24)25;2*1-5-11(6-2)17-14-10-15(21)18(25-19(14)27(3)26-17)13-8-7-12(9-16(13)28-4)29-20(22,23)24;1-5-12(6-2)18-15-9-10-16(24-19(15)26(3)25-18)14-8-7-13(11-17(14)27-4)28-20(21,22)23/h2*7-10H,5-6H2,1-4H3;2*7-11H,5-6H2,1-4H3;7-12H,5-6H2,1-4H3
InChIKeyKLBUFALYAIQAQE-UHFFFAOYSA-N
XLogP31.15
TPSA245.85 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002173.71
LogP ≤ 531.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze bis(5-chloro-6-[5-chloro-2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);bis(5-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine with MolForge

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Related Compounds

3-(2,2-Difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;bis(3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine);3-(1,1-difluoroethyl)-6-[3-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 157983027
6-[2-Chloro-5-(trifluoromethoxy)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-5-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 158868454
6-[4-(4-Chlorophenoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 159845645
3-(2-Chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-chloro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-ethoxy-3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157057562
3-(2-Chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-chloro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 157712005
3-(3-Chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-fluoro-5-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxy-3,5-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 162183300

Frequently Asked Questions

What is the IUPAC name of bis(5-chloro-6-[5-chloro-2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);bis(5-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine?
The IUPAC name of bis(5-chloro-6-[5-chloro-2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);bis(5-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine (CID 159166034) is bis(5-chloro-6-[5-chloro-2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);bis(5-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for bis(5-chloro-6-[5-chloro-2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);bis(5-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine?
The canonical SMILES for bis(5-chloro-6-[5-chloro-2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);bis(5-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine is CCC(CC)c1nn(C)c2nc(-c3cc(Cl)c(OC(F)(F)F)cc3OC)c(Cl)cc12.CCC(CC)c1nn(C)c2nc(-c3cc(Cl)c(OC(F)(F)F)cc3OC)c(Cl)cc12.CCC(CC)c1nn(C)c2nc(-c3ccc(OC(F)(F)F)cc3OC)c(Cl)cc12.CCC(CC)c1nn(C)c2nc(-c3ccc(OC(F)(F)F)cc3OC)c(Cl)cc12.CCC(CC)c1nn(C)c2nc(-c3ccc(OC(F)(F)F)cc3OC)ccc12.
What is the InChIKey of bis(5-chloro-6-[5-chloro-2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);bis(5-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine?
The InChIKey is KLBUFALYAIQAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H20Cl2F3N3O2.2C20H21ClF3N3O2.C20H22F3N3O2/c2*1-5-10(6-2)17-12-8-14(22)18(26-19(12)28(3)27-17)11-7-13(21)16(9-15(11)29-4)30-20(23,24)25;2*1-5-11(6-2)17-14-10-15(21)18(25-19(14)27(3)26-17)13-8-7-12(9-16(13)28-4)29-20(22,23)24;1-5-12(6-2)18-15-9-10-16(24-19(15)26(3)25-18)14-8-7-13(11-17(14)27-4)28-20(21,22)23/h2*7-10H,5-6H2,1-4H3;2*7-11H,5-6H2,1-4H3;7-12H,5-6H2,1-4H3.
What are the key properties of bis(5-chloro-6-[5-chloro-2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);bis(5-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine?
bis(5-chloro-6-[5-chloro-2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);bis(5-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine has a molecular weight of 2173.71 g/mol, XLogP of 31.15, 30 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-chloro-6-[5-chloro-2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);bis(5-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[3,4-b]pyridine);6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 159166034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).