2-[(1S)-1-[[6-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methoxycarbonyl]pyrimidine-4-carbonyl]amino]-4-methyl-2,3-dihydro-1H-inden-5-yl]acetic acid;[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate;tert-butyl N-[(1S)-5-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[(1S)-5-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylic acid;methyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]acetate;methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride

C171H185ClN22O37 — CID 159440859

About 2-[(1S)-1-[[6-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methoxycarbonyl]pyrimidine-4-carbonyl]amino]-4-methyl-2,3-dihydro-1H-inden-5-yl]acetic acid;[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate;tert-butyl N-[(1S)-5-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[(1S)-5-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylic acid;methyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]acetate;methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride

2-[(1S)-1-[[6-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methoxycarbonyl]pyrimidine-4-carbonyl]amino]-4-methyl-2,3-dihydro-1H-inden-5-yl]acetic acid;[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate;tert-butyl N-[(1S)-5-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[(1S)-5-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylic acid;methyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]acetate;methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride (PubChem CID 159440859) has the molecular formula C171H185ClN22O37 and a molecular weight of 3175.93 g/mol. Its IUPAC name is 2-[(1S)-1-[[6-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methoxycarbonyl]pyrimidine-4-carbonyl]amino]-4-methyl-2,3-dihydro-1H-inden-5-yl]acetic acid;[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate;tert-butyl N-[(1S)-5-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[(1S)-5-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylic acid;methyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]acetate;methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: 2-[(1S)-1-[[6-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methoxycarbonyl]pyrimidine-4-carbonyl]amino]-4-methyl-2,3-dihydro-1H-inden-5-yl]acetic acid;[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate;tert-butyl N-[(1S)-5-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[(1S)-5-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylic acid;methyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]acetate;methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride
• PubChem CID: 159440859
• Molecular Formula: C171H185ClN22O37
• Molecular Weight: 3175.93 g/mol
• Exact Mass: 3173.30
• IUPAC Name: 2-[(1S)-1-[[6-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methoxycarbonyl]pyrimidine-4-carbonyl]amino]-4-methyl-2,3-dihydro-1H-inden-5-yl]acetic acid;[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate;tert-butyl N-[(1S)-5-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[(1S)-5-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylic acid;methyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]acetate;methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride
• SMILES: CC(C)(C)OC(=O)N[C@H]1CCc2cc(CC#N)ccc21.CC(C)(C)OC(=O)N[C@H]1CCc2cc(CO)ccc21.COC(=O)Cc1ccc2c(c1)CC[C@@H]2N.COC(=O)Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)O)ncn1.COC(=O)Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)OC)ncn1.COC(=O)Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)OCc2ccc3c(c2)CN(c2c(N)c(=O)c2=O)CC3)ncn1.COC(=O)c1ccc2c(c1)CC[C@@H]2N.COC(=O)c1ccc2c(c1)CC[C@@H]2NC(=O)OC(C)(C)C.Cc1c(CC(=O)O)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)OCc2ccc3c(c2)CN(c2c(N)c(=O)c2=O)CC3)ncn1.Cl
• InChI: InChI=1S/2C32H29N5O7.C19H19N3O5.C18H17N3O5.C16H20N2O2.C16H21NO4.C15H21NO3.C12H15NO2.C11H13NO2.ClH/c1-43-26(38)12-17-3-6-22-20(10-17)5-7-23(22)36-31(41)24-13-25(35-16-34-24)32(42)44-15-18-2-4-19-8-9-37(14-21(19)11-18)28-27(33)29(39)30(28)40;1-16-19(11-26(38)39)4-5-22-21(16)6-7-23(22)36-31(42)24-12-25(35-15-34-24)32(43)44-14-17-2-3-18-8-9-37(13-20(18)10-17)28-27(33)29(40)30(28)41;1-26-17(23)8-11-3-5-13-12(7-11)4-6-14(13)22-18(24)15-9-16(19(25)27-2)21-10-20-15;1-26-16(22)7-10-2-4-12-11(6-10)3-5-13(12)21-17(23)14-8-15(18(24)25)20-9-19-14;1-16(2,3)20-15(19)18-14-7-5-12-10-11(8-9-17)4-6-13(12)14;1-16(2,3)21-15(19)17-13-8-6-10-9-11(14(18)20-4)5-7-12(10)13;1-15(2,3)19-14(18)16-13-7-5-11-8-10(9-17)4-6-12(11)13;1-15-12(14)7-8-2-4-10-9(6-8)3-5-11(10)13;1-14-11(13)8-2-4-9-7(6-8)3-5-10(9)12;/h2-4,6,10-11,13,16,23H,5,7-9,12,14-15,33H2,1H3,(H,36,41);2-5,10,12,15,23H,6-9,11,13-14,33H2,1H3,(H,36,42)(H,38,39);3,5,7,9-10,14H,4,6,8H2,1-2H3,(H,22,24);2,4,6,8-9,13H,3,5,7H2,1H3,(H,21,23)(H,24,25);4,6,10,14H,5,7-8H2,1-3H3,(H,18,19);5,7,9,13H,6,8H2,1-4H3,(H,17,19);4,6,8,13,17H,5,7,9H2,1-3H3,(H,16,18);2,4,6,11H,3,5,7,13H2,1H3;2,4,6,10H,3,5,12H2,1H3;1H/t2*23-;14-;13-;14-;2*13-;11-;10-;/m000000000./s1
• InChIKey: QIEMEDCMPUOPDD-BFOVMHIWSA-N
• XLogP: 18.47
• TPSA: 868.67 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 50
• Rotatable Bonds: 35
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3175.93
LogP ≤ 5	18.47
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[[6-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methoxycarbonyl]pyrimidine-4-carbonyl]amino]-4-methyl-2,3-dihydro-1H-inden-5-yl]acetic acid;[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate;tert-butyl N-[(1S)-5-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[(1S)-5-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylic acid;methyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]acetate;methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride?

The IUPAC name of 2-[(1S)-1-[[6-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methoxycarbonyl]pyrimidine-4-carbonyl]amino]-4-methyl-2,3-dihydro-1H-inden-5-yl]acetic acid;[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate;tert-butyl N-[(1S)-5-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[(1S)-5-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylic acid;methyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]acetate;methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride (CID 159440859) is 2-[(1S)-1-[[6-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methoxycarbonyl]pyrimidine-4-carbonyl]amino]-4-methyl-2,3-dihydro-1H-inden-5-yl]acetic acid;[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate;tert-butyl N-[(1S)-5-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[(1S)-5-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylic acid;methyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]acetate;methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride.

What is the SMILES notation for 2-[(1S)-1-[[6-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methoxycarbonyl]pyrimidine-4-carbonyl]amino]-4-methyl-2,3-dihydro-1H-inden-5-yl]acetic acid;[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate;tert-butyl N-[(1S)-5-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[(1S)-5-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylic acid;methyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]acetate;methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride?

The canonical SMILES for 2-[(1S)-1-[[6-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methoxycarbonyl]pyrimidine-4-carbonyl]amino]-4-methyl-2,3-dihydro-1H-inden-5-yl]acetic acid;[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate;tert-butyl N-[(1S)-5-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[(1S)-5-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylic acid;methyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]acetate;methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride is CC(C)(C)OC(=O)N[C@H]1CCc2cc(CC#N)ccc21.CC(C)(C)OC(=O)N[C@H]1CCc2cc(CO)ccc21.COC(=O)Cc1ccc2c(c1)CC[C@@H]2N.COC(=O)Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)O)ncn1.COC(=O)Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)OC)ncn1.COC(=O)Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)OCc2ccc3c(c2)CN(c2c(N)c(=O)c2=O)CC3)ncn1.COC(=O)c1ccc2c(c1)CC[C@@H]2N.COC(=O)c1ccc2c(c1)CC[C@@H]2NC(=O)OC(C)(C)C.Cc1c(CC(=O)O)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)OCc2ccc3c(c2)CN(c2c(N)c(=O)c2=O)CC3)ncn1.Cl.

What is the InChIKey of 2-[(1S)-1-[[6-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methoxycarbonyl]pyrimidine-4-carbonyl]amino]-4-methyl-2,3-dihydro-1H-inden-5-yl]acetic acid;[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate;tert-butyl N-[(1S)-5-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[(1S)-5-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylic acid;methyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]acetate;methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride?

The InChIKey is QIEMEDCMPUOPDD-BFOVMHIWSA-N. The full InChI is InChI=1S/2C32H29N5O7.C19H19N3O5.C18H17N3O5.C16H20N2O2.C16H21NO4.C15H21NO3.C12H15NO2.C11H13NO2.ClH/c1-43-26(38)12-17-3-6-22-20(10-17)5-7-23(22)36-31(41)24-13-25(35-16-34-24)32(42)44-15-18-2-4-19-8-9-37(14-21(19)11-18)28-27(33)29(39)30(28)40;1-16-19(11-26(38)39)4-5-22-21(16)6-7-23(22)36-31(42)24-12-25(35-15-34-24)32(43)44-14-17-2-3-18-8-9-37(13-20(18)10-17)28-27(33)29(40)30(28)41;1-26-17(23)8-11-3-5-13-12(7-11)4-6-14(13)22-18(24)15-9-16(19(25)27-2)21-10-20-15;1-26-16(22)7-10-2-4-12-11(6-10)3-5-13(12)21-17(23)14-8-15(18(24)25)20-9-19-14;1-16(2,3)20-15(19)18-14-7-5-12-10-11(8-9-17)4-6-13(12)14;1-16(2,3)21-15(19)17-13-8-6-10-9-11(14(18)20-4)5-7-12(10)13;1-15(2,3)19-14(18)16-13-7-5-11-8-10(9-17)4-6-12(11)13;1-15-12(14)7-8-2-4-10-9(6-8)3-5-11(10)13;1-14-11(13)8-2-4-9-7(6-8)3-5-10(9)12;/h2-4,6,10-11,13,16,23H,5,7-9,12,14-15,33H2,1H3,(H,36,41);2-5,10,12,15,23H,6-9,11,13-14,33H2,1H3,(H,36,42)(H,38,39);3,5,7,9-10,14H,4,6,8H2,1-2H3,(H,22,24);2,4,6,8-9,13H,3,5,7H2,1H3,(H,21,23)(H,24,25);4,6,10,14H,5,7-8H2,1-3H3,(H,18,19);5,7,9,13H,6,8H2,1-4H3,(H,17,19);4,6,8,13,17H,5,7,9H2,1-3H3,(H,16,18);2,4,6,11H,3,5,7,13H2,1H3;2,4,6,10H,3,5,12H2,1H3;1H/t2*23-;14-;13-;14-;2*13-;11-;10-;/m000000000./s1.

What are the key properties of 2-[(1S)-1-[[6-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methoxycarbonyl]pyrimidine-4-carbonyl]amino]-4-methyl-2,3-dihydro-1H-inden-5-yl]acetic acid;[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate;tert-butyl N-[(1S)-5-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[(1S)-5-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylic acid;methyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]acetate;methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride?

2-[(1S)-1-[[6-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methoxycarbonyl]pyrimidine-4-carbonyl]amino]-4-methyl-2,3-dihydro-1H-inden-5-yl]acetic acid;[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate;tert-butyl N-[(1S)-5-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[(1S)-5-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylic acid;methyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]acetate;methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride has a molecular weight of 3175.93 g/mol, XLogP of 18.47, 35 rotatable bonds, 14 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S)-1-[[6-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methoxycarbonyl]pyrimidine-4-carbonyl]amino]-4-methyl-2,3-dihydro-1H-inden-5-yl]acetic acid;[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate;tert-butyl N-[(1S)-5-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[(1S)-5-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylic acid;methyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]acetate;methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride is sourced from PubChem (CID 159440859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).