[1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxylic acid;[1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;methane

C106H96F12N32O9 — CID 160710673

About [1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxylic acid;[1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;methane

[1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxylic acid;[1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;methane (PubChem CID 160710673) has the molecular formula C106H96F12N32O9 and a molecular weight of 2190.12 g/mol. Its IUPAC name is [1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxylic acid;[1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;methane.

Molecular Properties

• Compound Name: [1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxylic acid;[1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;methane
• PubChem CID: 160710673
• Molecular Formula: C106H96F12N32O9
• Molecular Weight: 2190.12 g/mol
• Exact Mass: 2188.78
• IUPAC Name: [1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxylic acid;[1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;methane
• SMILES: C.C.C.COc1ncnc(C2CC2)c1-c1ncc2c(n1)N(Cc1ccc(-n3nc(C(F)(F)F)cc3CO)cc1)NC2.COc1ncnc(C2CC2)c1-c1ncc2cnn(Cc3ccc(-n4nc(C(F)(F)F)cc4-c4ccco4)cc3)c2n1.COc1ncnc(C2CC2)c1-c1ncc2cnn(Cc3ccc(-n4nc(C(F)(F)F)cc4C(=O)O)cc3)c2n1.COc1ncnc(C2CC2)c1-c1ncc2cnn(Cc3ccc(-n4nc(C(F)(F)F)cc4CO)cc3)c2n1
• InChI: InChI=1S/C28H21F3N8O2.C25H19F3N8O3.C25H23F3N8O2.C25H21F3N8O2.3CH4/c1-40-27-23(24(17-6-7-17)33-15-34-27)25-32-12-18-13-35-38(26(18)36-25)14-16-4-8-19(9-5-16)39-20(21-3-2-10-41-21)11-22(37-39)28(29,30)31;1-39-23-19(20(14-4-5-14)30-12-31-23)21-29-9-15-10-32-35(22(15)33-21)11-13-2-6-16(7-3-13)36-17(24(37)38)8-18(34-36)25(26,27)28;2*1-38-24-20(21(15-4-5-15)30-13-31-24)22-29-9-16-10-32-35(23(16)33-22)11-14-2-6-17(7-3-14)36-18(12-37)8-19(34-36)25(26,27)28;;;/h2-5,8-13,15,17H,6-7,14H2,1H3;2-3,6-10,12,14H,4-5,11H2,1H3,(H,37,38);2-3,6-9,13,15,32,37H,4-5,10-12H2,1H3;2-3,6-10,13,15,37H,4-5,11-12H2,1H3;3*1H4
• InChIKey: RRUVURFRHJMTIE-UHFFFAOYSA-N
• XLogP: 19.17
• TPSA: 474.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 40
• Rotatable Bonds: 28
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2190.12
LogP ≤ 5	19.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of [1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxylic acid;[1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;methane?

The IUPAC name of [1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxylic acid;[1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;methane (CID 160710673) is [1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxylic acid;[1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;methane.

What is the SMILES notation for [1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxylic acid;[1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;methane?

The canonical SMILES for [1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxylic acid;[1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;methane is C.C.C.COc1ncnc(C2CC2)c1-c1ncc2c(n1)N(Cc1ccc(-n3nc(C(F)(F)F)cc3CO)cc1)NC2.COc1ncnc(C2CC2)c1-c1ncc2cnn(Cc3ccc(-n4nc(C(F)(F)F)cc4-c4ccco4)cc3)c2n1.COc1ncnc(C2CC2)c1-c1ncc2cnn(Cc3ccc(-n4nc(C(F)(F)F)cc4C(=O)O)cc3)c2n1.COc1ncnc(C2CC2)c1-c1ncc2cnn(Cc3ccc(-n4nc(C(F)(F)F)cc4CO)cc3)c2n1.

What is the InChIKey of [1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxylic acid;[1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;methane?

The InChIKey is RRUVURFRHJMTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N8O2.C25H19F3N8O3.C25H23F3N8O2.C25H21F3N8O2.3CH4/c1-40-27-23(24(17-6-7-17)33-15-34-27)25-32-12-18-13-35-38(26(18)36-25)14-16-4-8-19(9-5-16)39-20(21-3-2-10-41-21)11-22(37-39)28(29,30)31;1-39-23-19(20(14-4-5-14)30-12-31-23)21-29-9-15-10-32-35(22(15)33-21)11-13-2-6-16(7-3-13)36-17(24(37)38)8-18(34-36)25(26,27)28;2*1-38-24-20(21(15-4-5-15)30-13-31-24)22-29-9-16-10-32-35(23(16)33-22)11-14-2-6-17(7-3-14)36-18(12-37)8-19(34-36)25(26,27)28;;;/h2-5,8-13,15,17H,6-7,14H2,1H3;2-3,6-10,12,14H,4-5,11H2,1H3,(H,37,38);2-3,6-9,13,15,32,37H,4-5,10-12H2,1H3;2-3,6-10,13,15,37H,4-5,11-12H2,1H3;3*1H4.

What are the key properties of [1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxylic acid;[1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;methane?

[1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxylic acid;[1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;methane has a molecular weight of 2190.12 g/mol, XLogP of 19.17, 28 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxylic acid;[1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;methane is sourced from PubChem (CID 160710673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).