1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-[(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-1-(2-propan-2-yl-4-pyridinyl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1-[2-(1,1,1-trifluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one

C129H148F5N35O5 — CID 165074066

About 1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-[(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-1-(2-propan-2-yl-4-pyridinyl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1-[2-(1,1,1-trifluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one

1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-[(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-1-(2-propan-2-yl-4-pyridinyl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1-[2-(1,1,1-trifluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 165074066) has the molecular formula C129H148F5N35O5 and a molecular weight of 2363.83 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-[(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-1-(2-propan-2-yl-4-pyridinyl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1-[2-(1,1,1-trifluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one.

Molecular Properties

• Compound Name: 1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-[(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-1-(2-propan-2-yl-4-pyridinyl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1-[2-(1,1,1-trifluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one
• PubChem CID: 165074066
• Molecular Formula: C129H148F5N35O5
• Molecular Weight: 2363.83 g/mol
• Exact Mass: 2362.23
• IUPAC Name: 1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-[(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-1-(2-propan-2-yl-4-pyridinyl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1-[2-(1,1,1-trifluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one
• SMILES: CC(C)C1NCCc2cc(Nc3ncc4c(=O)n(C(C)C)n(-c5ccnc(C(C)(C)C)c5)c4n3)ccc21.CC(C)c1cc(-n2c3nc(Nc4ccc5c(c4)CCNC5)ncc3c(=O)n2C(C)C)ccn1.CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)nc2n1-c1ccnc(C(C)(C)C)c1.CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)nc2n1-c1ccnc(C(C)(F)F)c1.CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)nc2n1-c1ccnc(C(C)C(F)(F)F)c1
• InChI: InChI=1S/C29H37N7O.C26H31N7O.C25H26F3N7O.C25H29N7O.C24H25F2N7O/c1-17(2)25-22-9-8-20(14-19(22)10-12-31-25)33-28-32-16-23-26(34-28)36(35(18(3)4)27(23)37)21-11-13-30-24(15-21)29(5,6)7;1-16(2)32-24(34)21-15-29-25(30-19-7-6-18-14-27-10-8-17(18)12-19)31-23(21)33(32)20-9-11-28-22(13-20)26(3,4)5;1-14(2)34-23(36)20-13-31-24(32-18-5-4-17-12-29-8-6-16(17)10-18)33-22(20)35(34)19-7-9-30-21(11-19)15(3)25(26,27)28;1-15(2)22-12-20(8-10-27-22)32-23-21(24(33)31(32)16(3)4)14-28-25(30-23)29-19-6-5-18-13-26-9-7-17(18)11-19;1-14(2)32-22(34)19-13-29-23(30-17-5-4-16-12-27-8-6-15(16)10-17)31-21(19)33(32)18-7-9-28-20(11-18)24(3,25)26/h8-9,11,13-18,25,31H,10,12H2,1-7H3,(H,32,33,34);6-7,9,11-13,15-16,27H,8,10,14H2,1-5H3,(H,29,30,31);4-5,7,9-11,13-15,29H,6,8,12H2,1-3H3,(H,31,32,33);5-6,8,10-12,14-16,26H,7,9,13H2,1-4H3,(H,28,29,30);4-5,7,9-11,13-14,27H,6,8,12H2,1-3H3,(H,29,30,31)
• InChIKey: TZWVDGHDUPYAKG-UHFFFAOYSA-N
• XLogP: 22.43
• TPSA: 448.30 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 40
• Rotatable Bonds: 24
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2363.83
LogP ≤ 5	22.43
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-[(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-1-(2-propan-2-yl-4-pyridinyl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1-[2-(1,1,1-trifluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one?

The IUPAC name of 1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-[(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-1-(2-propan-2-yl-4-pyridinyl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1-[2-(1,1,1-trifluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one (CID 165074066) is 1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-[(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-1-(2-propan-2-yl-4-pyridinyl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1-[2-(1,1,1-trifluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one.

What is the SMILES notation for 1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-[(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-1-(2-propan-2-yl-4-pyridinyl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1-[2-(1,1,1-trifluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one?

The canonical SMILES for 1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-[(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-1-(2-propan-2-yl-4-pyridinyl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1-[2-(1,1,1-trifluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one is CC(C)C1NCCc2cc(Nc3ncc4c(=O)n(C(C)C)n(-c5ccnc(C(C)(C)C)c5)c4n3)ccc21.CC(C)c1cc(-n2c3nc(Nc4ccc5c(c4)CCNC5)ncc3c(=O)n2C(C)C)ccn1.CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)nc2n1-c1ccnc(C(C)(C)C)c1.CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)nc2n1-c1ccnc(C(C)(F)F)c1.CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)nc2n1-c1ccnc(C(C)C(F)(F)F)c1.

What is the InChIKey of 1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-[(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-1-(2-propan-2-yl-4-pyridinyl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1-[2-(1,1,1-trifluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one?

The InChIKey is TZWVDGHDUPYAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O.C26H31N7O.C25H26F3N7O.C25H29N7O.C24H25F2N7O/c1-17(2)25-22-9-8-20(14-19(22)10-12-31-25)33-28-32-16-23-26(34-28)36(35(18(3)4)27(23)37)21-11-13-30-24(15-21)29(5,6)7;1-16(2)32-24(34)21-15-29-25(30-19-7-6-18-14-27-10-8-17(18)12-19)31-23(21)33(32)20-9-11-28-22(13-20)26(3,4)5;1-14(2)34-23(36)20-13-31-24(32-18-5-4-17-12-29-8-6-16(17)10-18)33-22(20)35(34)19-7-9-30-21(11-19)15(3)25(26,27)28;1-15(2)22-12-20(8-10-27-22)32-23-21(24(33)31(32)16(3)4)14-28-25(30-23)29-19-6-5-18-13-26-9-7-17(18)11-19;1-14(2)32-22(34)19-13-29-23(30-17-5-4-16-12-27-8-6-15(16)10-17)31-21(19)33(32)18-7-9-28-20(11-18)24(3,25)26/h8-9,11,13-18,25,31H,10,12H2,1-7H3,(H,32,33,34);6-7,9,11-13,15-16,27H,8,10,14H2,1-5H3,(H,29,30,31);4-5,7,9-11,13-15,29H,6,8,12H2,1-3H3,(H,31,32,33);5-6,8,10-12,14-16,26H,7,9,13H2,1-4H3,(H,28,29,30);4-5,7,9-11,13-14,27H,6,8,12H2,1-3H3,(H,29,30,31).

What are the key properties of 1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-[(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-1-(2-propan-2-yl-4-pyridinyl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1-[2-(1,1,1-trifluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one?

1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-[(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-1-(2-propan-2-yl-4-pyridinyl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1-[2-(1,1,1-trifluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one has a molecular weight of 2363.83 g/mol, XLogP of 22.43, 24 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-[(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-1-(2-propan-2-yl-4-pyridinyl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1-[2-(1,1,1-trifluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 165074066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).