carbanide;6-cyclopropyl-N,N-dimethyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine;4-cyclopropyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]-1H-pyrimidin-6-one;[6-cyclopropyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-yl] trifluoromethanesulfonate;6-(4-cyclopropyl-6-phenylmethoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;methane;palladium

C110H101F15N33O5PdS- — CID 158256037

About carbanide;6-cyclopropyl-N,N-dimethyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine;4-cyclopropyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]-1H-pyrimidin-6-one;[6-cyclopropyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-yl] trifluoromethanesulfonate;6-(4-cyclopropyl-6-phenylmethoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;methane;palladium

carbanide;6-cyclopropyl-N,N-dimethyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine;4-cyclopropyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]-1H-pyrimidin-6-one;[6-cyclopropyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-yl] trifluoromethanesulfonate;6-(4-cyclopropyl-6-phenylmethoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;methane;palladium (PubChem CID 158256037) has the molecular formula C110H101F15N33O5PdS- and a molecular weight of 2388.70 g/mol. Its IUPAC name is carbanide;6-cyclopropyl-N,N-dimethyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine;4-cyclopropyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]-1H-pyrimidin-6-one;[6-cyclopropyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-yl] trifluoromethanesulfonate;6-(4-cyclopropyl-6-phenylmethoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;methane;palladium.

Molecular Properties

• Compound Name: carbanide;6-cyclopropyl-N,N-dimethyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine;4-cyclopropyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]-1H-pyrimidin-6-one;[6-cyclopropyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-yl] trifluoromethanesulfonate;6-(4-cyclopropyl-6-phenylmethoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;methane;palladium
• PubChem CID: 158256037
• Molecular Formula: C110H101F15N33O5PdS-
• Molecular Weight: 2388.70 g/mol
• Exact Mass: 2386.72
• IUPAC Name: carbanide;6-cyclopropyl-N,N-dimethyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine;4-cyclopropyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]-1H-pyrimidin-6-one;[6-cyclopropyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-yl] trifluoromethanesulfonate;6-(4-cyclopropyl-6-phenylmethoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;methane;palladium
• SMILES: C.C.C.CN(C)c1ncnc(C2CC2)c1-c1ncc2cnn(Cc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)c2n1.Cn1cc(C(F)(F)F)nc1-c1ccc(Cn2ncc3cnc(-c4c(C5CC5)nc[nH]c4=O)nc32)cc1.Cn1cc(C(F)(F)F)nc1-c1ccc(Cn2ncc3cnc(-c4c(OCc5ccccc5)ncnc4C4CC4)nc32)cc1.Cn1cc(C(F)(F)F)nc1-c1ccc(Cn2ncc3cnc(-c4c(OS(=O)(=O)C(F)(F)F)ncnc4C4CC4)nc32)cc1.[CH3-].[Pd]
• InChI: InChI=1S/C31H25F3N8O.C26H24F3N9.C25H18F6N8O3S.C24H19F3N8O.3CH4.CH3.Pd/c1-41-16-24(31(32,33)34)39-28(41)22-9-7-19(8-10-22)15-42-29-23(14-38-42)13-35-27(40-29)25-26(21-11-12-21)36-18-37-30(25)43-17-20-5-3-2-4-6-20;1-36(2)25-20(21(16-8-9-16)31-14-32-25)22-30-10-18-11-33-38(24(18)35-22)12-15-4-6-17(7-5-15)23-34-19(13-37(23)3)26(27,28)29;1-38-11-17(24(26,27)28)36-21(38)15-4-2-13(3-5-15)10-39-22-16(9-35-39)8-32-20(37-22)18-19(14-6-7-14)33-12-34-23(18)42-43(40,41)25(29,30)31;1-34-11-17(24(25,26)27)32-21(34)15-4-2-13(3-5-15)10-35-22-16(9-31-35)8-28-20(33-22)18-19(14-6-7-14)29-12-30-23(18)36;;;;;/h2-10,13-14,16,18,21H,11-12,15,17H2,1H3;4-7,10-11,13-14,16H,8-9,12H2,1-3H3;2-5,8-9,11-12,14H,6-7,10H2,1H3;2-5,8-9,11-12,14H,6-7,10H2,1H3,(H,29,30,36);3*1H4;1H3;/q;;;;;;;-1
• InChIKey: MKRGNFQRHWCSAR-UHFFFAOYSA-N
• XLogP: 22.04
• TPSA: 424.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 37
• Rotatable Bonds: 26
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2388.70
LogP ≤ 5	22.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;6-cyclopropyl-N,N-dimethyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine;4-cyclopropyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]-1H-pyrimidin-6-one;[6-cyclopropyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-yl] trifluoromethanesulfonate;6-(4-cyclopropyl-6-phenylmethoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;methane;palladium?

The IUPAC name of carbanide;6-cyclopropyl-N,N-dimethyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine;4-cyclopropyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]-1H-pyrimidin-6-one;[6-cyclopropyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-yl] trifluoromethanesulfonate;6-(4-cyclopropyl-6-phenylmethoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;methane;palladium (CID 158256037) is carbanide;6-cyclopropyl-N,N-dimethyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine;4-cyclopropyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]-1H-pyrimidin-6-one;[6-cyclopropyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-yl] trifluoromethanesulfonate;6-(4-cyclopropyl-6-phenylmethoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;methane;palladium.

What is the SMILES notation for carbanide;6-cyclopropyl-N,N-dimethyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine;4-cyclopropyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]-1H-pyrimidin-6-one;[6-cyclopropyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-yl] trifluoromethanesulfonate;6-(4-cyclopropyl-6-phenylmethoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;methane;palladium?

The canonical SMILES for carbanide;6-cyclopropyl-N,N-dimethyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine;4-cyclopropyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]-1H-pyrimidin-6-one;[6-cyclopropyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-yl] trifluoromethanesulfonate;6-(4-cyclopropyl-6-phenylmethoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;methane;palladium is C.C.C.CN(C)c1ncnc(C2CC2)c1-c1ncc2cnn(Cc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)c2n1.Cn1cc(C(F)(F)F)nc1-c1ccc(Cn2ncc3cnc(-c4c(C5CC5)nc[nH]c4=O)nc32)cc1.Cn1cc(C(F)(F)F)nc1-c1ccc(Cn2ncc3cnc(-c4c(OCc5ccccc5)ncnc4C4CC4)nc32)cc1.Cn1cc(C(F)(F)F)nc1-c1ccc(Cn2ncc3cnc(-c4c(OS(=O)(=O)C(F)(F)F)ncnc4C4CC4)nc32)cc1.[CH3-].[Pd].

What is the InChIKey of carbanide;6-cyclopropyl-N,N-dimethyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine;4-cyclopropyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]-1H-pyrimidin-6-one;[6-cyclopropyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-yl] trifluoromethanesulfonate;6-(4-cyclopropyl-6-phenylmethoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;methane;palladium?

The InChIKey is MKRGNFQRHWCSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F3N8O.C26H24F3N9.C25H18F6N8O3S.C24H19F3N8O.3CH4.CH3.Pd/c1-41-16-24(31(32,33)34)39-28(41)22-9-7-19(8-10-22)15-42-29-23(14-38-42)13-35-27(40-29)25-26(21-11-12-21)36-18-37-30(25)43-17-20-5-3-2-4-6-20;1-36(2)25-20(21(16-8-9-16)31-14-32-25)22-30-10-18-11-33-38(24(18)35-22)12-15-4-6-17(7-5-15)23-34-19(13-37(23)3)26(27,28)29;1-38-11-17(24(26,27)28)36-21(38)15-4-2-13(3-5-15)10-39-22-16(9-35-39)8-32-20(37-22)18-19(14-6-7-14)33-12-34-23(18)42-43(40,41)25(29,30)31;1-34-11-17(24(25,26)27)32-21(34)15-4-2-13(3-5-15)10-35-22-16(9-31-35)8-28-20(33-22)18-19(14-6-7-14)29-12-30-23(18)36;;;;;/h2-10,13-14,16,18,21H,11-12,15,17H2,1H3;4-7,10-11,13-14,16H,8-9,12H2,1-3H3;2-5,8-9,11-12,14H,6-7,10H2,1H3;2-5,8-9,11-12,14H,6-7,10H2,1H3,(H,29,30,36);3*1H4;1H3;/q;;;;;;;-1;.

What are the key properties of carbanide;6-cyclopropyl-N,N-dimethyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine;4-cyclopropyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]-1H-pyrimidin-6-one;[6-cyclopropyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-yl] trifluoromethanesulfonate;6-(4-cyclopropyl-6-phenylmethoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;methane;palladium?

carbanide;6-cyclopropyl-N,N-dimethyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine;4-cyclopropyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]-1H-pyrimidin-6-one;[6-cyclopropyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-yl] trifluoromethanesulfonate;6-(4-cyclopropyl-6-phenylmethoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;methane;palladium has a molecular weight of 2388.70 g/mol, XLogP of 22.04, 26 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;6-cyclopropyl-N,N-dimethyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine;4-cyclopropyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]-1H-pyrimidin-6-one;[6-cyclopropyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-yl] trifluoromethanesulfonate;6-(4-cyclopropyl-6-phenylmethoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;methane;palladium is sourced from PubChem (CID 158256037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).