(2R)-1-[3-[4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-6-[2-(3-methoxyazetidin-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-[6-(dimethylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(Z)-3-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-methylpyrimidin-4-yl]-2-methyl-3-(methylamino)prop-2-enimidoyl bromide;6-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;methyl 2-[6-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methylpyrimidin-4-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate

C146H172Br2Cl6N32O16 — CID 157192139

About (2R)-1-[3-[4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-6-[2-(3-methoxyazetidin-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-[6-(dimethylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(Z)-3-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-methylpyrimidin-4-yl]-2-methyl-3-(methylamino)prop-2-enimidoyl bromide;6-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;methyl 2-[6-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methylpyrimidin-4-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate

(2R)-1-[3-[4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-6-[2-(3-methoxyazetidin-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-[6-(dimethylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(Z)-3-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-methylpyrimidin-4-yl]-2-methyl-3-(methylamino)prop-2-enimidoyl bromide;6-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;methyl 2-[6-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methylpyrimidin-4-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate (PubChem CID 157192139) has the molecular formula C146H172Br2Cl6N32O16 and a molecular weight of 3003.72 g/mol. Its IUPAC name is (2R)-1-[3-[4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-6-[2-(3-methoxyazetidin-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-[6-(dimethylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(Z)-3-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-methylpyrimidin-4-yl]-2-methyl-3-(methylamino)prop-2-enimidoyl bromide;6-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;methyl 2-[6-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methylpyrimidin-4-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate.

Molecular Properties

• Compound Name: (2R)-1-[3-[4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-6-[2-(3-methoxyazetidin-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-[6-(dimethylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(Z)-3-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-methylpyrimidin-4-yl]-2-methyl-3-(methylamino)prop-2-enimidoyl bromide;6-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;methyl 2-[6-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methylpyrimidin-4-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate
• PubChem CID: 157192139
• Molecular Formula: C146H172Br2Cl6N32O16
• Molecular Weight: 3003.72 g/mol
• Exact Mass: 2997.01
• IUPAC Name: (2R)-1-[3-[4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-6-[2-(3-methoxyazetidin-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-[6-(dimethylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(Z)-3-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-methylpyrimidin-4-yl]-2-methyl-3-(methylamino)prop-2-enimidoyl bromide;6-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;methyl 2-[6-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methylpyrimidin-4-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate
• SMILES: CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3Cc4cnc(N(C)C)cc4C3)n2)c1.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3Cc4nc(C)n(C)c(=O)c4C3)n2)c1.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(/C(=N/C)C(Br)=CN)c(C)c(N3CC4=C(CN(C(=O)OC)CC4)C3)n2)c1.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(/C(=N/C)C(Cl)=CN)c(C)c(N3Cc4cnc(N5CC(OC)C5)nc4C3)n2)c1.[H]/N=C(Br)/C(C)=C(\NC)c1nc(-c2cc(OC[C@H](O)CCC)ccc2Cl)nc(N2Cc3cccnc3C2)c1C
• InChI: InChI=1S/C30H36Cl2N8O3.C30H35ClN6O3.C29H36BrClN6O4.C29H33ClN6O4.C28H32BrClN6O2/c1-5-6-19(41)16-43-20-7-8-23(31)22(9-20)28-37-26(27(34-3)24(32)10-33)17(2)29(38-28)39-12-18-11-35-30(36-25(18)15-39)40-13-21(14-40)42-4;1-7-8-22(38)16-39-23-9-10-25(31)24(12-23)29-33-28(27-18(3)35-40-19(27)4)17(2)30(34-29)37-14-20-11-26(36(5)6)32-13-21(20)15-37;1-5-6-20(38)16-41-21-7-8-24(31)22(11-21)27-34-25(26(33-3)23(30)12-32)17(2)28(35-27)37-13-18-9-10-36(29(39)40-4)14-19(18)15-37;1-7-8-19(37)14-39-20-9-10-23(30)21(11-20)27-32-26(25-16(3)34-40-17(25)4)15(2)28(33-27)36-12-22-24(13-36)31-18(5)35(6)29(22)38;1-5-7-19(37)15-38-20-9-10-22(30)21(12-20)27-34-25(24(32-4)16(2)26(29)31)17(3)28(35-27)36-13-18-8-6-11-33-23(18)14-36/h7-11,19,21,41H,5-6,12-16,33H2,1-4H3;9-13,22,38H,7-8,14-16H2,1-6H3;7-8,11-12,20,38H,5-6,9-10,13-16,32H2,1-4H3;9-11,19,37H,7-8,12-14H2,1-6H3;6,8-12,19,31-32,37H,5,7,13-15H2,1-4H3/b24-10?,34-27+;;23-12?,33-26+;;24-16-,31-26-/t19-;22-;20-;2*19-/m11111/s1
• InChIKey: UFKFZCWIDXPEJD-CZLOBEBZSA-N
• XLogP: 25.72
• TPSA: 588.80 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 47
• Rotatable Bonds: 47
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3003.72
LogP ≤ 5	25.72
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-[4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-6-[2-(3-methoxyazetidin-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-[6-(dimethylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(Z)-3-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-methylpyrimidin-4-yl]-2-methyl-3-(methylamino)prop-2-enimidoyl bromide;6-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;methyl 2-[6-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methylpyrimidin-4-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate?

The IUPAC name of (2R)-1-[3-[4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-6-[2-(3-methoxyazetidin-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-[6-(dimethylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(Z)-3-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-methylpyrimidin-4-yl]-2-methyl-3-(methylamino)prop-2-enimidoyl bromide;6-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;methyl 2-[6-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methylpyrimidin-4-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate (CID 157192139) is (2R)-1-[3-[4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-6-[2-(3-methoxyazetidin-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-[6-(dimethylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(Z)-3-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-methylpyrimidin-4-yl]-2-methyl-3-(methylamino)prop-2-enimidoyl bromide;6-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;methyl 2-[6-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methylpyrimidin-4-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate.

What is the SMILES notation for (2R)-1-[3-[4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-6-[2-(3-methoxyazetidin-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-[6-(dimethylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(Z)-3-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-methylpyrimidin-4-yl]-2-methyl-3-(methylamino)prop-2-enimidoyl bromide;6-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;methyl 2-[6-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methylpyrimidin-4-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate?

The canonical SMILES for (2R)-1-[3-[4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-6-[2-(3-methoxyazetidin-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-[6-(dimethylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(Z)-3-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-methylpyrimidin-4-yl]-2-methyl-3-(methylamino)prop-2-enimidoyl bromide;6-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;methyl 2-[6-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methylpyrimidin-4-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate is CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3Cc4cnc(N(C)C)cc4C3)n2)c1.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3Cc4nc(C)n(C)c(=O)c4C3)n2)c1.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(/C(=N/C)C(Br)=CN)c(C)c(N3CC4=C(CN(C(=O)OC)CC4)C3)n2)c1.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(/C(=N/C)C(Cl)=CN)c(C)c(N3Cc4cnc(N5CC(OC)C5)nc4C3)n2)c1.[H]/N=C(Br)/C(C)=C(\NC)c1nc(-c2cc(OC[C@H](O)CCC)ccc2Cl)nc(N2Cc3cccnc3C2)c1C.

What is the InChIKey of (2R)-1-[3-[4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-6-[2-(3-methoxyazetidin-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-[6-(dimethylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(Z)-3-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-methylpyrimidin-4-yl]-2-methyl-3-(methylamino)prop-2-enimidoyl bromide;6-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;methyl 2-[6-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methylpyrimidin-4-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate?

The InChIKey is UFKFZCWIDXPEJD-CZLOBEBZSA-N. The full InChI is InChI=1S/C30H36Cl2N8O3.C30H35ClN6O3.C29H36BrClN6O4.C29H33ClN6O4.C28H32BrClN6O2/c1-5-6-19(41)16-43-20-7-8-23(31)22(9-20)28-37-26(27(34-3)24(32)10-33)17(2)29(38-28)39-12-18-11-35-30(36-25(18)15-39)40-13-21(14-40)42-4;1-7-8-22(38)16-39-23-9-10-25(31)24(12-23)29-33-28(27-18(3)35-40-19(27)4)17(2)30(34-29)37-14-20-11-26(36(5)6)32-13-21(20)15-37;1-5-6-20(38)16-41-21-7-8-24(31)22(11-21)27-34-25(26(33-3)23(30)12-32)17(2)28(35-27)37-13-18-9-10-36(29(39)40-4)14-19(18)15-37;1-7-8-19(37)14-39-20-9-10-23(30)21(11-20)27-32-26(25-16(3)34-40-17(25)4)15(2)28(33-27)36-12-22-24(13-36)31-18(5)35(6)29(22)38;1-5-7-19(37)15-38-20-9-10-22(30)21(12-20)27-34-25(24(32-4)16(2)26(29)31)17(3)28(35-27)36-13-18-8-6-11-33-23(18)14-36/h7-11,19,21,41H,5-6,12-16,33H2,1-4H3;9-13,22,38H,7-8,14-16H2,1-6H3;7-8,11-12,20,38H,5-6,9-10,13-16,32H2,1-4H3;9-11,19,37H,7-8,12-14H2,1-6H3;6,8-12,19,31-32,37H,5,7,13-15H2,1-4H3/b24-10?,34-27+;;23-12?,33-26+;;24-16-,31-26-/t19-;22-;20-;2*19-/m11111/s1.

What are the key properties of (2R)-1-[3-[4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-6-[2-(3-methoxyazetidin-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-[6-(dimethylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(Z)-3-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-methylpyrimidin-4-yl]-2-methyl-3-(methylamino)prop-2-enimidoyl bromide;6-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;methyl 2-[6-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methylpyrimidin-4-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate?

(2R)-1-[3-[4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-6-[2-(3-methoxyazetidin-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-[6-(dimethylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(Z)-3-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-methylpyrimidin-4-yl]-2-methyl-3-(methylamino)prop-2-enimidoyl bromide;6-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;methyl 2-[6-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methylpyrimidin-4-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate has a molecular weight of 3003.72 g/mol, XLogP of 25.72, 47 rotatable bonds, 9 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[3-[4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-6-[2-(3-methoxyazetidin-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-methylpyrimidin-2-yl]-4-chlorophenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-[6-(dimethylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(Z)-3-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-methylpyrimidin-4-yl]-2-methyl-3-(methylamino)prop-2-enimidoyl bromide;6-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;methyl 2-[6-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-5-methylpyrimidin-4-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate is sourced from PubChem (CID 157192139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).