6-tert-butyl-1-cyclopentylpyrazolo[3,4-d]pyrimidine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[4,3-c]pyridine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[3,4-d]pyrimidine;2-tert-butyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-4-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;methane

C102H137F5N20O2 — CID 158483810

IUPAC6-tert-butyl-1-cyclopentylpyrazolo[3,4-d]pyrimidine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[4,3-c]pyridine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[3,4-d]pyrimidine;2-tert-butyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-4-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;methane
SMILESC.CC(C)(C)c1cc2n(n1)C(c1ccccc1)CC2F.CC(C)(C)c1cc2n(n1)CCOC2c1ccccc1.CC(C)(C)c1ncc2cnn(C3CCCC3)c2n1.CC(C)n1ccc2cnc(C(C)(C)C)nc21.CCC(F)(F)n1ncc2cnc(C(C)(C)C)cc21.CCC(F)(F)n1ncc2cnc(C(C)(C)C)nc21.Cc1ccccc1C1OCCn2nc(C(C)(C)C)cc21
InChIInChI=1S/C17H22N2O.C16H19FN2.C16H20N2O.C14H20N4.C13H17F2N3.C13H19N3.C12H16F2N4.CH4/c1-12-7-5-6-8-13(12)16-14-11-15(17(2,3)4)18-19(14)9-10-20-16;1-16(2,3)15-10-14-12(17)9-13(19(14)18-15)11-7-5-4-6-8-11;1-16(2,3)14-11-13-15(12-7-5-4-6-8-12)19-10-9-18(13)17-14;1-14(2,3)13-15-8-10-9-16-18(12(10)17-13)11-6-4-5-7-11;1-5-13(14,15)18-10-6-11(12(2,3)4)16-7-9(10)8-17-18;1-9(2)16-7-6-10-8-14-12(13(3,4)5)15-11(10)16;1-5-12(13,14)18-9-8(7-16-18)6-15-10(17-9)11(2,3)4;/h5-8,11,16H,9-10H2,1-4H3;4-8,10,12-13H,9H2,1-3H3;4-8,11,15H,9-10H2,1-3H3;8-9,11H,4-7H2,1-3H3;6-8H,5H2,1-4H3;6-9H,1-5H3;6-7H,5H2,1-4H3;1H4
InChIKeyHHVNWCJSRPZVPT-UHFFFAOYSA-N
MW1770.35 g/mol
LogP25.05
Rot. Bonds9

About 6-tert-butyl-1-cyclopentylpyrazolo[3,4-d]pyrimidine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[4,3-c]pyridine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[3,4-d]pyrimidine;2-tert-butyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-4-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;methane

6-tert-butyl-1-cyclopentylpyrazolo[3,4-d]pyrimidine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[4,3-c]pyridine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[3,4-d]pyrimidine;2-tert-butyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-4-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;methane (PubChem CID 158483810) has the molecular formula C102H137F5N20O2 and a molecular weight of 1770.35 g/mol. Its IUPAC name is 6-tert-butyl-1-cyclopentylpyrazolo[3,4-d]pyrimidine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[4,3-c]pyridine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[3,4-d]pyrimidine;2-tert-butyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-4-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;methane.

Molecular Properties

Compound Name6-tert-butyl-1-cyclopentylpyrazolo[3,4-d]pyrimidine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[4,3-c]pyridine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[3,4-d]pyrimidine;2-tert-butyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-4-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;methane
PubChem CID158483810
Molecular FormulaC102H137F5N20O2
Molecular Weight1770.35 g/mol
Exact Mass1769.12
IUPAC Name6-tert-butyl-1-cyclopentylpyrazolo[3,4-d]pyrimidine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[4,3-c]pyridine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[3,4-d]pyrimidine;2-tert-butyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-4-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;methane
SMILESC.CC(C)(C)c1cc2n(n1)C(c1ccccc1)CC2F.CC(C)(C)c1cc2n(n1)CCOC2c1ccccc1.CC(C)(C)c1ncc2cnn(C3CCCC3)c2n1.CC(C)n1ccc2cnc(C(C)(C)C)nc21.CCC(F)(F)n1ncc2cnc(C(C)(C)C)cc21.CCC(F)(F)n1ncc2cnc(C(C)(C)C)nc21.Cc1ccccc1C1OCCn2nc(C(C)(C)C)cc21
InChIInChI=1S/C17H22N2O.C16H19FN2.C16H20N2O.C14H20N4.C13H17F2N3.C13H19N3.C12H16F2N4.CH4/c1-12-7-5-6-8-13(12)16-14-11-15(17(2,3)4)18-19(14)9-10-20-16;1-16(2,3)15-10-14-12(17)9-13(19(14)18-15)11-7-5-4-6-8-11;1-16(2,3)14-11-13-15(12-7-5-4-6-8-12)19-10-9-18(13)17-14;1-14(2,3)13-15-8-10-9-16-18(12(10)17-13)11-6-4-5-7-11;1-5-13(14,15)18-10-6-11(12(2,3)4)16-7-9(10)8-17-18;1-9(2)16-7-6-10-8-14-12(13(3,4)5)15-11(10)16;1-5-12(13,14)18-9-8(7-16-18)6-15-10(17-9)11(2,3)4;/h5-8,11,16H,9-10H2,1-4H3;4-8,10,12-13H,9H2,1-3H3;4-8,11,15H,9-10H2,1-3H3;8-9,11H,4-7H2,1-3H3;6-8H,5H2,1-4H3;6-9H,1-5H3;6-7H,5H2,1-4H3;1H4
InChIKeyHHVNWCJSRPZVPT-UHFFFAOYSA-N
XLogP25.05
TPSA220.54 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds9
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001770.35
LogP ≤ 525.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 6-tert-butyl-1-cyclopentylpyrazolo[3,4-d]pyrimidine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[4,3-c]pyridine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[3,4-d]pyrimidine;2-tert-butyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-4-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;methane with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[[[4-[3-[[2-[[[4-[3-[[2-[[3-[[2-[(2-fluoro-2-methylpropoxy)-(4-fluorophenyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-5-methylpyrazol-1-yl]methoxy-(4-fluorophenyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-5-methylpyrazol-1-yl]oxolan-2-yl]methylamino]-(4-fluorophenyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-5-methylpyrazol-1-yl]oxolan-2-yl]methylamino]-(4-fluorophenyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-N',3-dimethylbut-2-enimidamide
CID 91050275
2-(4-Fluorophenyl)-2-[2-[4-[3-[[4-[3-[[4-[4-[4-[5-[1-(4-fluorophenyl)-1-hydroxyethyl]pyrimidin-2-yl]-3-methylpiperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]-4-[4-[5-[2-(4-fluorophenyl)-1-hydroxypropan-2-yl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-3-ium-6-yl]pyrazol-1-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-3-ium-4-yl]piperazin-1-yl]pyrimidin-5-yl]propan-1-ol
CID 123217151
1-Tert-butyl-2-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-4-methylpyridin-1-ium;1-tert-butyl-2-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)pyridin-1-ium;1-tert-butyl-2-(1-propan-2-ylpyrrol-2-yl)pyridin-1-ium;2-(1-tert-butylpyridin-1-ium-2-yl)-1-propan-2-ylbenzimidazole;1-propan-2-yl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)pyridin-1-ium
CID 157746672
azane;5-(1-ethylpyrazol-4-yl)-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(isocyanomethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-N-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine
CID 158080952
3-Tert-butyl-2-cyclobutylimidazo[1,2-a]pyridine;3-tert-butyl-2-cyclobutylpyrazolo[1,5-a]pyridine;3-tert-butyl-2-cyclopentylpyrazolo[1,5-a]pyridine;3-tert-butyl-2-cyclopropylimidazo[1,2-a]pyridine;3-tert-butyl-2-cyclopropylpyrazolo[1,5-a]pyridine;3-tert-butyl-2-ethylpyrazolo[1,5-a]pyridine;3-tert-butyl-1-methylimidazo[1,5-a]pyridine;bis(3-tert-butyl-2-methylimidazo[1,2-a]pyridine);tetrakis(3-tert-butyl-2-methylpyrazolo[1,5-a]pyridine);3-tert-butyl-7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine;3-tert-butyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine;2-(3-tert-butylpyrazolo[1,5-a]pyridin-2-yl)propan-2-ol;3-tert-butyl-1-(trifluoromethyl)imidazo[1,5-a]pyridine;3-tert-butyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 158612426
3-Tert-butyl-2-cyclobutylpyrazolo[1,5-a]pyridine;3-tert-butyl-2-cyclopentylpyrazolo[1,5-a]pyridine;3-tert-butyl-2-cyclopropylpyrazolo[1,5-a]pyridine;3-tert-butyl-2-ethylpyrazolo[1,5-a]pyridine;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;3-tert-butyl-1-methylimidazo[1,5-a]pyridine;tetrakis(3-tert-butyl-2-methylpyrazolo[1,5-a]pyridine);3-tert-butyl-7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine;3-tert-butyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine;2-(3-tert-butylpyrazolo[1,5-a]pyridin-2-yl)propan-2-ol;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;3-tert-butyl-1-(trifluoromethyl)imidazo[1,5-a]pyridine;3-tert-butyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 158682605
5-(1-ethylpyrazol-4-yl)-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(isocyanomethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2-dihydrotriazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine
CID 158883797
2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-propan-2-ylindazole;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 160047082
CID 160353973
CID 160353973
N-[1-(2,6-dimethyl-4H-pyridin-4-id-3-yl)pyrazol-3-yl]-N-phenyl-6-phenylpyridin-2-amine;1-(6-fluoro-3H-pyridin-3-id-2-yl)-3-[2-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]propan-2-yl]indazole;6-methoxy-2-[3-[2-(6-phenyl-2-pyridinyl)propan-2-yl]-1,2,4-triazol-1-yl]-3H-pyridin-3-ide;4-[6-[1-[1-(2H-naphthalen-2-id-1-yl)pyrazol-3-yl]cyclopentyl]-2-pyridinyl]-6-(trifluoromethyl)-3H-pyridin-3-ide;4-[6-[2-[1-phenyl-4-(trifluoromethyl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-6-(trifluoromethyl)-3H-pyridin-3-ide;pentakis(platinum(2+))
CID 160886873
6-tert-butyl-1-cyclopentylpyrazolo[3,4-d]pyrimidine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[3,4-d]pyrimidine;6-tert-butyl-1-(1,1-difluoropropyl)pyrrolo[3,2-c]pyridine;2-tert-butyl-4-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-4-methyl-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-4-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine
CID 161710590
3-(Indolizin-6-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine
CID 161865811

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-cyclopentylpyrazolo[3,4-d]pyrimidine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[4,3-c]pyridine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[3,4-d]pyrimidine;2-tert-butyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-4-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;methane?
The IUPAC name of 6-tert-butyl-1-cyclopentylpyrazolo[3,4-d]pyrimidine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[4,3-c]pyridine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[3,4-d]pyrimidine;2-tert-butyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-4-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;methane (CID 158483810) is 6-tert-butyl-1-cyclopentylpyrazolo[3,4-d]pyrimidine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[4,3-c]pyridine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[3,4-d]pyrimidine;2-tert-butyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-4-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;methane.
What is the SMILES notation for 6-tert-butyl-1-cyclopentylpyrazolo[3,4-d]pyrimidine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[4,3-c]pyridine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[3,4-d]pyrimidine;2-tert-butyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-4-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;methane?
The canonical SMILES for 6-tert-butyl-1-cyclopentylpyrazolo[3,4-d]pyrimidine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[4,3-c]pyridine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[3,4-d]pyrimidine;2-tert-butyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-4-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;methane is C.CC(C)(C)c1cc2n(n1)C(c1ccccc1)CC2F.CC(C)(C)c1cc2n(n1)CCOC2c1ccccc1.CC(C)(C)c1ncc2cnn(C3CCCC3)c2n1.CC(C)n1ccc2cnc(C(C)(C)C)nc21.CCC(F)(F)n1ncc2cnc(C(C)(C)C)cc21.CCC(F)(F)n1ncc2cnc(C(C)(C)C)nc21.Cc1ccccc1C1OCCn2nc(C(C)(C)C)cc21.
What is the InChIKey of 6-tert-butyl-1-cyclopentylpyrazolo[3,4-d]pyrimidine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[4,3-c]pyridine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[3,4-d]pyrimidine;2-tert-butyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-4-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;methane?
The InChIKey is HHVNWCJSRPZVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O.C16H19FN2.C16H20N2O.C14H20N4.C13H17F2N3.C13H19N3.C12H16F2N4.CH4/c1-12-7-5-6-8-13(12)16-14-11-15(17(2,3)4)18-19(14)9-10-20-16;1-16(2,3)15-10-14-12(17)9-13(19(14)18-15)11-7-5-4-6-8-11;1-16(2,3)14-11-13-15(12-7-5-4-6-8-12)19-10-9-18(13)17-14;1-14(2,3)13-15-8-10-9-16-18(12(10)17-13)11-6-4-5-7-11;1-5-13(14,15)18-10-6-11(12(2,3)4)16-7-9(10)8-17-18;1-9(2)16-7-6-10-8-14-12(13(3,4)5)15-11(10)16;1-5-12(13,14)18-9-8(7-16-18)6-15-10(17-9)11(2,3)4;/h5-8,11,16H,9-10H2,1-4H3;4-8,10,12-13H,9H2,1-3H3;4-8,11,15H,9-10H2,1-3H3;8-9,11H,4-7H2,1-3H3;6-8H,5H2,1-4H3;6-9H,1-5H3;6-7H,5H2,1-4H3;1H4.
What are the key properties of 6-tert-butyl-1-cyclopentylpyrazolo[3,4-d]pyrimidine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[4,3-c]pyridine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[3,4-d]pyrimidine;2-tert-butyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-4-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;methane?
6-tert-butyl-1-cyclopentylpyrazolo[3,4-d]pyrimidine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[4,3-c]pyridine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[3,4-d]pyrimidine;2-tert-butyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-4-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;methane has a molecular weight of 1770.35 g/mol, XLogP of 25.05, 9 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-cyclopentylpyrazolo[3,4-d]pyrimidine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[4,3-c]pyridine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[3,4-d]pyrimidine;2-tert-butyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-4-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;methane is sourced from PubChem (CID 158483810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).