1-(2-tert-butyl-4-pyridinyl)-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-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-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-1-[2-(1,1,1-trifluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one

C132H154F3N35O5 — CID 165053997

About 1-(2-tert-butyl-4-pyridinyl)-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-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-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-1-[2-(1,1,1-trifluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one

1-(2-tert-butyl-4-pyridinyl)-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-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-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-1-[2-(1,1,1-trifluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 165053997) has the molecular formula C132H154F3N35O5 and a molecular weight of 2367.92 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-pyridinyl)-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-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-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-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)-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-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-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-1-[2-(1,1,1-trifluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one
• PubChem CID: 165053997
• Molecular Formula: C132H154F3N35O5
• Molecular Weight: 2367.92 g/mol
• Exact Mass: 2366.28
• IUPAC Name: 1-(2-tert-butyl-4-pyridinyl)-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-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-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-1-[2-(1,1,1-trifluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one
• SMILES: CC(C)c1cc(-n2c3nc(Nc4ccc5c(c4)CNCC5)ncc3c(=O)n2C(C)C)ccn1.CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)C(C)(C)NCC4)nc2n1-c1ccnc(C(C)(C)C)c1.CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)C3(CC3)NCC4)nc2n1-c1ccnc(C(C)(C)C)c1.CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CNCC4)nc2n1-c1ccnc(C(C)(C)C)c1.CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CNCC4)nc2n1-c1ccnc(C(C)C(F)(F)F)c1
• InChI: InChI=1S/C28H33N7O.C28H35N7O.C26H31N7O.C25H26F3N7O.C25H29N7O/c1-17(2)34-25(36)21-16-30-26(32-19-7-6-18-8-13-31-28(10-11-28)22(18)14-19)33-24(21)35(34)20-9-12-29-23(15-20)27(3,4)5;1-17(2)34-25(36)21-16-30-26(32-19-9-8-18-10-13-31-28(6,7)22(18)14-19)33-24(21)35(34)20-11-12-29-23(15-20)27(3,4)5;1-16(2)32-24(34)21-15-29-25(30-19-7-6-17-8-10-27-14-18(17)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(32-18-5-4-16-6-8-29-12-17(16)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)29-19-6-5-17-7-9-26-13-18(17)11-19/h6-7,9,12,14-17,31H,8,10-11,13H2,1-5H3,(H,30,32,33);8-9,11-12,14-17,31H,10,13H2,1-7H3,(H,30,32,33);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)
• InChIKey: QCMCMCJMZDLDBU-UHFFFAOYSA-N
• XLogP: 22.64
• TPSA: 448.30 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 40
• Rotatable Bonds: 22
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2367.92
LogP ≤ 5	22.64
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)-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-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-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-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)-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-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-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-1-[2-(1,1,1-trifluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one (CID 165053997) is 1-(2-tert-butyl-4-pyridinyl)-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-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-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-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)-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-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-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-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)-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-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-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-1-[2-(1,1,1-trifluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one is CC(C)c1cc(-n2c3nc(Nc4ccc5c(c4)CNCC5)ncc3c(=O)n2C(C)C)ccn1.CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)C(C)(C)NCC4)nc2n1-c1ccnc(C(C)(C)C)c1.CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)C3(CC3)NCC4)nc2n1-c1ccnc(C(C)(C)C)c1.CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CNCC4)nc2n1-c1ccnc(C(C)(C)C)c1.CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CNCC4)nc2n1-c1ccnc(C(C)C(F)(F)F)c1.

What is the InChIKey of 1-(2-tert-butyl-4-pyridinyl)-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-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-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-1-[2-(1,1,1-trifluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one?

The InChIKey is QCMCMCJMZDLDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O.C28H35N7O.C26H31N7O.C25H26F3N7O.C25H29N7O/c1-17(2)34-25(36)21-16-30-26(32-19-7-6-18-8-13-31-28(10-11-28)22(18)14-19)33-24(21)35(34)20-9-12-29-23(15-20)27(3,4)5;1-17(2)34-25(36)21-16-30-26(32-19-9-8-18-10-13-31-28(6,7)22(18)14-19)33-24(21)35(34)20-11-12-29-23(15-20)27(3,4)5;1-16(2)32-24(34)21-15-29-25(30-19-7-6-17-8-10-27-14-18(17)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(32-18-5-4-16-6-8-29-12-17(16)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)29-19-6-5-17-7-9-26-13-18(17)11-19/h6-7,9,12,14-17,31H,8,10-11,13H2,1-5H3,(H,30,32,33);8-9,11-12,14-17,31H,10,13H2,1-7H3,(H,30,32,33);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).

What are the key properties of 1-(2-tert-butyl-4-pyridinyl)-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-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-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-1-[2-(1,1,1-trifluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one?

1-(2-tert-butyl-4-pyridinyl)-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-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-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-1-[2-(1,1,1-trifluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one has a molecular weight of 2367.92 g/mol, XLogP of 22.64, 22 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)-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-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-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-1-[2-(1,1,1-trifluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 165053997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).