tert-butyl 4-[4-amino-3-(1H-imidazo[4,5-b]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;methane;3-methyl-7H-cyclopenta[b]pyridine;1-piperidin-4-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid

C65H78F3IN24O6 — CID 163424204

About tert-butyl 4-[4-amino-3-(1H-imidazo[4,5-b]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;methane;3-methyl-7H-cyclopenta[b]pyridine;1-piperidin-4-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid

tert-butyl 4-[4-amino-3-(1H-imidazo[4,5-b]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;methane;3-methyl-7H-cyclopenta[b]pyridine;1-piperidin-4-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 163424204) has the molecular formula C65H78F3IN24O6 and a molecular weight of 1475.40 g/mol. Its IUPAC name is tert-butyl 4-[4-amino-3-(1H-imidazo[4,5-b]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;methane;3-methyl-7H-cyclopenta[b]pyridine;1-piperidin-4-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: tert-butyl 4-[4-amino-3-(1H-imidazo[4,5-b]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;methane;3-methyl-7H-cyclopenta[b]pyridine;1-piperidin-4-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid
• PubChem CID: 163424204
• Molecular Formula: C65H78F3IN24O6
• Molecular Weight: 1475.40 g/mol
• Exact Mass: 1474.55
• IUPAC Name: tert-butyl 4-[4-amino-3-(1H-imidazo[4,5-b]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;methane;3-methyl-7H-cyclopenta[b]pyridine;1-piperidin-4-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid
• SMILES: C.CC(C)(C)OC(=O)N1CCC(n2nc(-c3cnc4nc[nH]c4c3)c3c(N)ncnc32)CC1.CC(C)(C)OC(=O)N1CCC(n2nc(I)c3c(N)ncnc32)CC1.Cc1cnc2c(c1)C=CC2.Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCNCC1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H25N9O2.C17H18N8.C15H21IN6O2.C9H9N.C2HF3O2.CH4/c1-21(2,3)32-20(31)29-6-4-13(5-7-29)30-19-15(17(22)25-11-27-19)16(28-30)12-8-14-18(23-9-12)26-10-24-14;18-15-13-14(11-7-10-1-6-20-16(10)21-8-11)24-25(17(13)23-9-22-15)12-2-4-19-5-3-12;1-15(2,3)24-14(23)21-6-4-9(5-7-21)22-13-10(11(16)20-22)12(17)18-8-19-13;1-7-5-8-3-2-4-9(8)10-6-7;3-2(4,5)1(6)7;/h8-11,13H,4-7H2,1-3H3,(H2,22,25,27)(H,23,24,26);1,6-9,12,19H,2-5H2,(H,20,21)(H2,18,22,23);8-9H,4-7H2,1-3H3,(H2,17,18,19);2-3,5-6H,4H2,1H3;(H,6,7);1H4
• InChIKey: ZSCCOVNDRSBHCA-UHFFFAOYSA-N
• XLogP: 10.61
• TPSA: 400.41 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 5
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1475.40
LogP ≤ 5	10.61
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-amino-3-(1H-imidazo[4,5-b]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;methane;3-methyl-7H-cyclopenta[b]pyridine;1-piperidin-4-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid?

The IUPAC name of tert-butyl 4-[4-amino-3-(1H-imidazo[4,5-b]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;methane;3-methyl-7H-cyclopenta[b]pyridine;1-piperidin-4-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid (CID 163424204) is tert-butyl 4-[4-amino-3-(1H-imidazo[4,5-b]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;methane;3-methyl-7H-cyclopenta[b]pyridine;1-piperidin-4-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid.

What is the SMILES notation for tert-butyl 4-[4-amino-3-(1H-imidazo[4,5-b]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;methane;3-methyl-7H-cyclopenta[b]pyridine;1-piperidin-4-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid?

The canonical SMILES for tert-butyl 4-[4-amino-3-(1H-imidazo[4,5-b]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;methane;3-methyl-7H-cyclopenta[b]pyridine;1-piperidin-4-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid is C.CC(C)(C)OC(=O)N1CCC(n2nc(-c3cnc4nc[nH]c4c3)c3c(N)ncnc32)CC1.CC(C)(C)OC(=O)N1CCC(n2nc(I)c3c(N)ncnc32)CC1.Cc1cnc2c(c1)C=CC2.Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCNCC1.O=C(O)C(F)(F)F.

What is the InChIKey of tert-butyl 4-[4-amino-3-(1H-imidazo[4,5-b]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;methane;3-methyl-7H-cyclopenta[b]pyridine;1-piperidin-4-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid?

The InChIKey is ZSCCOVNDRSBHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N9O2.C17H18N8.C15H21IN6O2.C9H9N.C2HF3O2.CH4/c1-21(2,3)32-20(31)29-6-4-13(5-7-29)30-19-15(17(22)25-11-27-19)16(28-30)12-8-14-18(23-9-12)26-10-24-14;18-15-13-14(11-7-10-1-6-20-16(10)21-8-11)24-25(17(13)23-9-22-15)12-2-4-19-5-3-12;1-15(2,3)24-14(23)21-6-4-9(5-7-21)22-13-10(11(16)20-22)12(17)18-8-19-13;1-7-5-8-3-2-4-9(8)10-6-7;3-2(4,5)1(6)7;/h8-11,13H,4-7H2,1-3H3,(H2,22,25,27)(H,23,24,26);1,6-9,12,19H,2-5H2,(H,20,21)(H2,18,22,23);8-9H,4-7H2,1-3H3,(H2,17,18,19);2-3,5-6H,4H2,1H3;(H,6,7);1H4.

What are the key properties of tert-butyl 4-[4-amino-3-(1H-imidazo[4,5-b]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;methane;3-methyl-7H-cyclopenta[b]pyridine;1-piperidin-4-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid?

tert-butyl 4-[4-amino-3-(1H-imidazo[4,5-b]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;methane;3-methyl-7H-cyclopenta[b]pyridine;1-piperidin-4-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 1475.40 g/mol, XLogP of 10.61, 5 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[4-amino-3-(1H-imidazo[4,5-b]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;methane;3-methyl-7H-cyclopenta[b]pyridine;1-piperidin-4-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 163424204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).