4-bromo-2-cyclopropyl-1,3-thiazole;tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[1-(2-cyclopropyl-1,3-thiazol-4-yl)-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;cyclopropylboronic acid;1-(2-cyclopropyl-1,3-thiazol-4-yl)-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2,4-dibromo-1,3-thiazole;6-methylsulfanyl-2-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidin-3-one;hydrochloride

C101H122BBr3ClN27O10S7 — CID 161017384

About 4-bromo-2-cyclopropyl-1,3-thiazole;tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[1-(2-cyclopropyl-1,3-thiazol-4-yl)-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;cyclopropylboronic acid;1-(2-cyclopropyl-1,3-thiazol-4-yl)-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2,4-dibromo-1,3-thiazole;6-methylsulfanyl-2-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidin-3-one;hydrochloride

4-bromo-2-cyclopropyl-1,3-thiazole;tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[1-(2-cyclopropyl-1,3-thiazol-4-yl)-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;cyclopropylboronic acid;1-(2-cyclopropyl-1,3-thiazol-4-yl)-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2,4-dibromo-1,3-thiazole;6-methylsulfanyl-2-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidin-3-one;hydrochloride (PubChem CID 161017384) has the molecular formula C101H122BBr3ClN27O10S7 and a molecular weight of 2384.71 g/mol. Its IUPAC name is 4-bromo-2-cyclopropyl-1,3-thiazole;tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[1-(2-cyclopropyl-1,3-thiazol-4-yl)-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;cyclopropylboronic acid;1-(2-cyclopropyl-1,3-thiazol-4-yl)-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2,4-dibromo-1,3-thiazole;6-methylsulfanyl-2-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidin-3-one;hydrochloride.

Molecular Properties

• Compound Name: 4-bromo-2-cyclopropyl-1,3-thiazole;tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[1-(2-cyclopropyl-1,3-thiazol-4-yl)-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;cyclopropylboronic acid;1-(2-cyclopropyl-1,3-thiazol-4-yl)-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2,4-dibromo-1,3-thiazole;6-methylsulfanyl-2-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidin-3-one;hydrochloride
• PubChem CID: 161017384
• Molecular Formula: C101H122BBr3ClN27O10S7
• Molecular Weight: 2384.71 g/mol
• Exact Mass: 2379.52
• IUPAC Name: 4-bromo-2-cyclopropyl-1,3-thiazole;tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[1-(2-cyclopropyl-1,3-thiazol-4-yl)-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;cyclopropylboronic acid;1-(2-cyclopropyl-1,3-thiazol-4-yl)-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2,4-dibromo-1,3-thiazole;6-methylsulfanyl-2-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidin-3-one;hydrochloride
• SMILES: Brc1csc(Br)n1.Brc1csc(C2CC2)n1.CC(C)(C)OC(=O)N1CCc2cc(N)ccc2C1.CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)nc2n1-c1csc(C2CC2)n1.CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)nc2n1-c1csc(C2CC2)n1.CSc1ncc2c(=O)n(C(C)C)[nH]c2n1.CSc1ncc2c(=O)n(C(C)C)n(-c3csc(C4CC4)n3)c2n1.Cl.OB(O)C1CC1
• InChI: InChI=1S/C28H33N7O3S.C23H25N7OS.C15H17N5OS2.C14H20N2O2.C9H12N4OS.C6H6BrNS.C3H7BO2.C3HBr2NS.ClH/c1-16(2)34-25(36)21-13-29-26(32-23(21)35(34)22-15-39-24(31-22)17-6-7-17)30-20-9-8-19-14-33(11-10-18(19)12-20)27(37)38-28(3,4)5;1-13(2)29-22(31)18-11-25-23(26-17-6-5-16-10-24-8-7-15(16)9-17)28-20(18)30(29)19-12-32-21(27-19)14-3-4-14;1-8(2)19-14(21)10-6-16-15(22-3)18-12(10)20(19)11-7-23-13(17-11)9-4-5-9;1-14(2,3)18-13(17)16-7-6-10-8-12(15)5-4-11(10)9-16;1-5(2)13-8(14)6-4-10-9(15-3)11-7(6)12-13;7-5-3-9-6(8-5)4-1-2-4;5-4(6)3-1-2-3;4-2-1-7-3(5)6-2;/h8-9,12-13,15-17H,6-7,10-11,14H2,1-5H3,(H,29,30,32);5-6,9,11-14,24H,3-4,7-8,10H2,1-2H3,(H,25,26,28);6-9H,4-5H2,1-3H3;4-5,8H,6-7,9,15H2,1-3H3;4-5H,1-3H3,(H,10,11,12);3-4H,1-2H2;3,5-6H,1-2H2;1H;1H
• InChIKey: RNODIVWBFUIYRY-UHFFFAOYSA-N
• XLogP: 22.12
• TPSA: 447.80 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 41
• Rotatable Bonds: 18
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2384.71
LogP ≤ 5	22.12
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-cyclopropyl-1,3-thiazole;tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[1-(2-cyclopropyl-1,3-thiazol-4-yl)-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;cyclopropylboronic acid;1-(2-cyclopropyl-1,3-thiazol-4-yl)-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2,4-dibromo-1,3-thiazole;6-methylsulfanyl-2-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidin-3-one;hydrochloride?

The IUPAC name of 4-bromo-2-cyclopropyl-1,3-thiazole;tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[1-(2-cyclopropyl-1,3-thiazol-4-yl)-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;cyclopropylboronic acid;1-(2-cyclopropyl-1,3-thiazol-4-yl)-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2,4-dibromo-1,3-thiazole;6-methylsulfanyl-2-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidin-3-one;hydrochloride (CID 161017384) is 4-bromo-2-cyclopropyl-1,3-thiazole;tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[1-(2-cyclopropyl-1,3-thiazol-4-yl)-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;cyclopropylboronic acid;1-(2-cyclopropyl-1,3-thiazol-4-yl)-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2,4-dibromo-1,3-thiazole;6-methylsulfanyl-2-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidin-3-one;hydrochloride.

What is the SMILES notation for 4-bromo-2-cyclopropyl-1,3-thiazole;tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[1-(2-cyclopropyl-1,3-thiazol-4-yl)-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;cyclopropylboronic acid;1-(2-cyclopropyl-1,3-thiazol-4-yl)-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2,4-dibromo-1,3-thiazole;6-methylsulfanyl-2-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidin-3-one;hydrochloride?

The canonical SMILES for 4-bromo-2-cyclopropyl-1,3-thiazole;tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[1-(2-cyclopropyl-1,3-thiazol-4-yl)-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;cyclopropylboronic acid;1-(2-cyclopropyl-1,3-thiazol-4-yl)-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2,4-dibromo-1,3-thiazole;6-methylsulfanyl-2-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidin-3-one;hydrochloride is Brc1csc(Br)n1.Brc1csc(C2CC2)n1.CC(C)(C)OC(=O)N1CCc2cc(N)ccc2C1.CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)nc2n1-c1csc(C2CC2)n1.CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)nc2n1-c1csc(C2CC2)n1.CSc1ncc2c(=O)n(C(C)C)[nH]c2n1.CSc1ncc2c(=O)n(C(C)C)n(-c3csc(C4CC4)n3)c2n1.Cl.OB(O)C1CC1.

What is the InChIKey of 4-bromo-2-cyclopropyl-1,3-thiazole;tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[1-(2-cyclopropyl-1,3-thiazol-4-yl)-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;cyclopropylboronic acid;1-(2-cyclopropyl-1,3-thiazol-4-yl)-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2,4-dibromo-1,3-thiazole;6-methylsulfanyl-2-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidin-3-one;hydrochloride?

The InChIKey is RNODIVWBFUIYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O3S.C23H25N7OS.C15H17N5OS2.C14H20N2O2.C9H12N4OS.C6H6BrNS.C3H7BO2.C3HBr2NS.ClH/c1-16(2)34-25(36)21-13-29-26(32-23(21)35(34)22-15-39-24(31-22)17-6-7-17)30-20-9-8-19-14-33(11-10-18(19)12-20)27(37)38-28(3,4)5;1-13(2)29-22(31)18-11-25-23(26-17-6-5-16-10-24-8-7-15(16)9-17)28-20(18)30(29)19-12-32-21(27-19)14-3-4-14;1-8(2)19-14(21)10-6-16-15(22-3)18-12(10)20(19)11-7-23-13(17-11)9-4-5-9;1-14(2,3)18-13(17)16-7-6-10-8-12(15)5-4-11(10)9-16;1-5(2)13-8(14)6-4-10-9(15-3)11-7(6)12-13;7-5-3-9-6(8-5)4-1-2-4;5-4(6)3-1-2-3;4-2-1-7-3(5)6-2;/h8-9,12-13,15-17H,6-7,10-11,14H2,1-5H3,(H,29,30,32);5-6,9,11-14,24H,3-4,7-8,10H2,1-2H3,(H,25,26,28);6-9H,4-5H2,1-3H3;4-5,8H,6-7,9,15H2,1-3H3;4-5H,1-3H3,(H,10,11,12);3-4H,1-2H2;3,5-6H,1-2H2;1H;1H.

What are the key properties of 4-bromo-2-cyclopropyl-1,3-thiazole;tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[1-(2-cyclopropyl-1,3-thiazol-4-yl)-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;cyclopropylboronic acid;1-(2-cyclopropyl-1,3-thiazol-4-yl)-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2,4-dibromo-1,3-thiazole;6-methylsulfanyl-2-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidin-3-one;hydrochloride?

4-bromo-2-cyclopropyl-1,3-thiazole;tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[1-(2-cyclopropyl-1,3-thiazol-4-yl)-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;cyclopropylboronic acid;1-(2-cyclopropyl-1,3-thiazol-4-yl)-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2,4-dibromo-1,3-thiazole;6-methylsulfanyl-2-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidin-3-one;hydrochloride has a molecular weight of 2384.71 g/mol, XLogP of 22.12, 18 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-cyclopropyl-1,3-thiazole;tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[1-(2-cyclopropyl-1,3-thiazol-4-yl)-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;cyclopropylboronic acid;1-(2-cyclopropyl-1,3-thiazol-4-yl)-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2,4-dibromo-1,3-thiazole;6-methylsulfanyl-2-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidin-3-one;hydrochloride is sourced from PubChem (CID 161017384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).