7-bromo-2-chloro-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-(1H-isoindol-4-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine;4-(3,3,4,4-tetramethylcyclopentyl)-1H-indazole

C82H82Br3Cl3N18O5S5 — CID 158637052

About 7-bromo-2-chloro-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-(1H-isoindol-4-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine;4-(3,3,4,4-tetramethylcyclopentyl)-1H-indazole

7-bromo-2-chloro-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-(1H-isoindol-4-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine;4-(3,3,4,4-tetramethylcyclopentyl)-1H-indazole (PubChem CID 158637052) has the molecular formula C82H82Br3Cl3N18O5S5 and a molecular weight of 1906.08 g/mol. Its IUPAC name is 7-bromo-2-chloro-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-(1H-isoindol-4-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine;4-(3,3,4,4-tetramethylcyclopentyl)-1H-indazole.

Molecular Properties

• Compound Name: 7-bromo-2-chloro-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-(1H-isoindol-4-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine;4-(3,3,4,4-tetramethylcyclopentyl)-1H-indazole
• PubChem CID: 158637052
• Molecular Formula: C82H82Br3Cl3N18O5S5
• Molecular Weight: 1906.08 g/mol
• Exact Mass: 1900.19
• IUPAC Name: 7-bromo-2-chloro-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-(1H-isoindol-4-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine;4-(3,3,4,4-tetramethylcyclopentyl)-1H-indazole
• SMILES: Brc1csc2c(-c3cccc4c3C=NC4)nc(N3CCOCC3)nc12.C1COCCN1.CC1(C)CC(c2cccc3[nH]ncc23)CC1(C)C.CS(=O)(=O)N1CCN(Cc2csc3c(-c4cccc5c4C=NC5)nc(N4CCOCC4)nc23)CC1.Clc1nc(-c2cccc3c2C=NC3)c2scc(Br)c2n1.Clc1nc(Cl)c2scc(Br)c2n1
• InChI: InChI=1S/C24H28N6O3S2.C18H15BrN4OS.C16H22N2.C14H7BrClN3S.C6HBrCl2N2S.C4H9NO/c1-35(31,32)30-7-5-28(6-8-30)15-18-16-34-23-21(18)26-24(29-9-11-33-12-10-29)27-22(23)19-4-2-3-17-13-25-14-20(17)19;19-14-10-25-17-15(12-3-1-2-11-8-20-9-13(11)12)21-18(22-16(14)17)23-4-6-24-7-5-23;1-15(2)8-11(9-16(15,3)4)12-6-5-7-14-13(12)10-17-18-14;15-10-6-20-13-11(18-14(16)19-12(10)13)8-3-1-2-7-4-17-5-9(7)8;7-2-1-12-4-3(2)10-6(9)11-5(4)8;1-3-6-4-2-5-1/h2-4,14,16H,5-13,15H2,1H3;1-3,9-10H,4-8H2;5-7,10-11H,8-9H2,1-4H3,(H,17,18);1-3,5-6H,4H2;1H;5H,1-4H2
• InChIKey: HZXBIOZGNHNSTE-UHFFFAOYSA-N
• XLogP: 18.66
• TPSA: 255.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 9
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1906.08
LogP ≤ 5	18.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-chloro-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-(1H-isoindol-4-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine;4-(3,3,4,4-tetramethylcyclopentyl)-1H-indazole?

The IUPAC name of 7-bromo-2-chloro-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-(1H-isoindol-4-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine;4-(3,3,4,4-tetramethylcyclopentyl)-1H-indazole (CID 158637052) is 7-bromo-2-chloro-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-(1H-isoindol-4-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine;4-(3,3,4,4-tetramethylcyclopentyl)-1H-indazole.

What is the SMILES notation for 7-bromo-2-chloro-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-(1H-isoindol-4-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine;4-(3,3,4,4-tetramethylcyclopentyl)-1H-indazole?

The canonical SMILES for 7-bromo-2-chloro-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-(1H-isoindol-4-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine;4-(3,3,4,4-tetramethylcyclopentyl)-1H-indazole is Brc1csc2c(-c3cccc4c3C=NC4)nc(N3CCOCC3)nc12.C1COCCN1.CC1(C)CC(c2cccc3[nH]ncc23)CC1(C)C.CS(=O)(=O)N1CCN(Cc2csc3c(-c4cccc5c4C=NC5)nc(N4CCOCC4)nc23)CC1.Clc1nc(-c2cccc3c2C=NC3)c2scc(Br)c2n1.Clc1nc(Cl)c2scc(Br)c2n1.

What is the InChIKey of 7-bromo-2-chloro-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-(1H-isoindol-4-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine;4-(3,3,4,4-tetramethylcyclopentyl)-1H-indazole?

The InChIKey is HZXBIOZGNHNSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3S2.C18H15BrN4OS.C16H22N2.C14H7BrClN3S.C6HBrCl2N2S.C4H9NO/c1-35(31,32)30-7-5-28(6-8-30)15-18-16-34-23-21(18)26-24(29-9-11-33-12-10-29)27-22(23)19-4-2-3-17-13-25-14-20(17)19;19-14-10-25-17-15(12-3-1-2-11-8-20-9-13(11)12)21-18(22-16(14)17)23-4-6-24-7-5-23;1-15(2)8-11(9-16(15,3)4)12-6-5-7-14-13(12)10-17-18-14;15-10-6-20-13-11(18-14(16)19-12(10)13)8-3-1-2-7-4-17-5-9(7)8;7-2-1-12-4-3(2)10-6(9)11-5(4)8;1-3-6-4-2-5-1/h2-4,14,16H,5-13,15H2,1H3;1-3,9-10H,4-8H2;5-7,10-11H,8-9H2,1-4H3,(H,17,18);1-3,5-6H,4H2;1H;5H,1-4H2.

What are the key properties of 7-bromo-2-chloro-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-(1H-isoindol-4-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine;4-(3,3,4,4-tetramethylcyclopentyl)-1H-indazole?

7-bromo-2-chloro-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-(1H-isoindol-4-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine;4-(3,3,4,4-tetramethylcyclopentyl)-1H-indazole has a molecular weight of 1906.08 g/mol, XLogP of 18.66, 9 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-chloro-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-(1H-isoindol-4-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine;4-(3,3,4,4-tetramethylcyclopentyl)-1H-indazole is sourced from PubChem (CID 158637052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).