[(2R)-1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)piperidin-1-yl]-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate;3-[1-[(3S)-3-[(4-amino-3-chloro-5-ethynylphenyl)methyl]-1-hydroxy-4-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]-4-oxobutyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one;3-[1-[(3S)-3-[(4-amino-3-chloro-5-ethynylphenyl)methyl]-1-hydroxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutyl]piperidin-4-yl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one;[(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate

C147H194Cl4F6N28O14 — CID 157139230

About [(2R)-1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)piperidin-1-yl]-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate;3-[1-[(3S)-3-[(4-amino-3-chloro-5-ethynylphenyl)methyl]-1-hydroxy-4-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]-4-oxobutyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one;3-[1-[(3S)-3-[(4-amino-3-chloro-5-ethynylphenyl)methyl]-1-hydroxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutyl]piperidin-4-yl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one;[(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate

[(2R)-1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)piperidin-1-yl]-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate;3-[1-[(3S)-3-[(4-amino-3-chloro-5-ethynylphenyl)methyl]-1-hydroxy-4-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]-4-oxobutyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one;3-[1-[(3S)-3-[(4-amino-3-chloro-5-ethynylphenyl)methyl]-1-hydroxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutyl]piperidin-4-yl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one;[(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate (PubChem CID 157139230) has the molecular formula C147H194Cl4F6N28O14 and a molecular weight of 2833.15 g/mol. Its IUPAC name is [(2R)-1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)piperidin-1-yl]-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate;3-[1-[(3S)-3-[(4-amino-3-chloro-5-ethynylphenyl)methyl]-1-hydroxy-4-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]-4-oxobutyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one;3-[1-[(3S)-3-[(4-amino-3-chloro-5-ethynylphenyl)methyl]-1-hydroxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutyl]piperidin-4-yl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one;[(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate.

Molecular Properties

• Compound Name: [(2R)-1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)piperidin-1-yl]-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate;3-[1-[(3S)-3-[(4-amino-3-chloro-5-ethynylphenyl)methyl]-1-hydroxy-4-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]-4-oxobutyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one;3-[1-[(3S)-3-[(4-amino-3-chloro-5-ethynylphenyl)methyl]-1-hydroxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutyl]piperidin-4-yl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one;[(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate
• PubChem CID: 157139230
• Molecular Formula: C147H194Cl4F6N28O14
• Molecular Weight: 2833.15 g/mol
• Exact Mass: 2829.40
• IUPAC Name: [(2R)-1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)piperidin-1-yl]-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate;3-[1-[(3S)-3-[(4-amino-3-chloro-5-ethynylphenyl)methyl]-1-hydroxy-4-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]-4-oxobutyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one;3-[1-[(3S)-3-[(4-amino-3-chloro-5-ethynylphenyl)methyl]-1-hydroxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutyl]piperidin-4-yl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one;[(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate
• SMILES: C#Cc1cc(C[C@@H](CC(O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCN(C)CC3)CC2)cc(Cl)c1N.C#Cc1cc(C[C@@H](CC(O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCN(C)CC3)CC2)cc(Cl)c1N.CCN1CCC(N2CCN(C(=O)[C@@H](Cc3cc(Cl)c(N)c(C(F)(F)F)c3)OC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)CC2)CC1.Nc1c(Cl)cc(C[C@@H](OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCN4CCCC4C3)CC2)cc1C(F)(F)F
• InChI: InChI=1S/C37H47ClF3N7O4.2C37H50ClN7O3.C36H47ClF3N7O4/c38-30-21-24(20-29(33(30)42)37(39,40)41)22-32(34(49)45-13-8-26(9-14-45)47-19-18-44-12-3-5-28(44)23-47)52-36(51)46-15-10-27(11-16-46)48-17-7-25-4-1-2-6-31(25)43-35(48)50;1-3-27-21-26(23-32(38)35(27)39)22-29(36(47)44-17-9-30(10-18-44)42-14-6-13-41(2)19-20-42)24-34(46)43-15-11-31(12-16-43)45-25-28-7-4-5-8-33(28)40-37(45)48;1-3-27-22-26(24-32(38)35(27)39)23-29(36(47)44-15-9-30(10-16-44)42-20-18-41(2)19-21-42)25-34(46)43-13-11-31(12-14-43)45-17-8-28-6-4-5-7-33(28)40-37(45)48;1-2-43-12-8-26(9-13-43)44-17-19-45(20-18-44)33(48)31(23-24-21-28(36(38,39)40)32(41)29(37)22-24)51-35(50)46-14-10-27(11-15-46)47-16-7-25-5-3-4-6-30(25)42-34(47)49/h1-2,4,6,20-21,26-28,32H,3,5,7-19,22-23,42H2,(H,43,50);1,4-5,7-8,21,23,29-31,34,46H,6,9-20,22,24-25,39H2,2H3,(H,40,48);1,4-7,22,24,29-31,34,46H,8-21,23,25,39H2,2H3,(H,40,48);3-6,21-22,26-27,31H,2,7-20,23,41H2,1H3,(H,42,49)/t28?,32-;2*29-,34?;31-/m1001/s1
• InChIKey: AJZMZCYWXRLIMF-PNOMKOQZSA-N
• XLogP: 17.96
• TPSA: 446.62 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 29
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2833.15
LogP ≤ 5	17.96
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)piperidin-1-yl]-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate;3-[1-[(3S)-3-[(4-amino-3-chloro-5-ethynylphenyl)methyl]-1-hydroxy-4-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]-4-oxobutyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one;3-[1-[(3S)-3-[(4-amino-3-chloro-5-ethynylphenyl)methyl]-1-hydroxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutyl]piperidin-4-yl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one;[(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate?

The IUPAC name of [(2R)-1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)piperidin-1-yl]-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate;3-[1-[(3S)-3-[(4-amino-3-chloro-5-ethynylphenyl)methyl]-1-hydroxy-4-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]-4-oxobutyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one;3-[1-[(3S)-3-[(4-amino-3-chloro-5-ethynylphenyl)methyl]-1-hydroxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutyl]piperidin-4-yl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one;[(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate (CID 157139230) is [(2R)-1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)piperidin-1-yl]-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate;3-[1-[(3S)-3-[(4-amino-3-chloro-5-ethynylphenyl)methyl]-1-hydroxy-4-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]-4-oxobutyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one;3-[1-[(3S)-3-[(4-amino-3-chloro-5-ethynylphenyl)methyl]-1-hydroxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutyl]piperidin-4-yl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one;[(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate.

What is the SMILES notation for [(2R)-1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)piperidin-1-yl]-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate;3-[1-[(3S)-3-[(4-amino-3-chloro-5-ethynylphenyl)methyl]-1-hydroxy-4-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]-4-oxobutyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one;3-[1-[(3S)-3-[(4-amino-3-chloro-5-ethynylphenyl)methyl]-1-hydroxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutyl]piperidin-4-yl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one;[(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate?

The canonical SMILES for [(2R)-1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)piperidin-1-yl]-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate;3-[1-[(3S)-3-[(4-amino-3-chloro-5-ethynylphenyl)methyl]-1-hydroxy-4-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]-4-oxobutyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one;3-[1-[(3S)-3-[(4-amino-3-chloro-5-ethynylphenyl)methyl]-1-hydroxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutyl]piperidin-4-yl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one;[(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate is C#Cc1cc(C[C@@H](CC(O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCN(C)CC3)CC2)cc(Cl)c1N.C#Cc1cc(C[C@@H](CC(O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCN(C)CC3)CC2)cc(Cl)c1N.CCN1CCC(N2CCN(C(=O)[C@@H](Cc3cc(Cl)c(N)c(C(F)(F)F)c3)OC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)CC2)CC1.Nc1c(Cl)cc(C[C@@H](OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCN4CCCC4C3)CC2)cc1C(F)(F)F.

What is the InChIKey of [(2R)-1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)piperidin-1-yl]-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate;3-[1-[(3S)-3-[(4-amino-3-chloro-5-ethynylphenyl)methyl]-1-hydroxy-4-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]-4-oxobutyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one;3-[1-[(3S)-3-[(4-amino-3-chloro-5-ethynylphenyl)methyl]-1-hydroxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutyl]piperidin-4-yl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one;[(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate?

The InChIKey is AJZMZCYWXRLIMF-PNOMKOQZSA-N. The full InChI is InChI=1S/C37H47ClF3N7O4.2C37H50ClN7O3.C36H47ClF3N7O4/c38-30-21-24(20-29(33(30)42)37(39,40)41)22-32(34(49)45-13-8-26(9-14-45)47-19-18-44-12-3-5-28(44)23-47)52-36(51)46-15-10-27(11-16-46)48-17-7-25-4-1-2-6-31(25)43-35(48)50;1-3-27-21-26(23-32(38)35(27)39)22-29(36(47)44-17-9-30(10-18-44)42-14-6-13-41(2)19-20-42)24-34(46)43-15-11-31(12-16-43)45-25-28-7-4-5-8-33(28)40-37(45)48;1-3-27-22-26(24-32(38)35(27)39)23-29(36(47)44-15-9-30(10-16-44)42-20-18-41(2)19-21-42)25-34(46)43-13-11-31(12-14-43)45-17-8-28-6-4-5-7-33(28)40-37(45)48;1-2-43-12-8-26(9-13-43)44-17-19-45(20-18-44)33(48)31(23-24-21-28(36(38,39)40)32(41)29(37)22-24)51-35(50)46-14-10-27(11-15-46)47-16-7-25-5-3-4-6-30(25)42-34(47)49/h1-2,4,6,20-21,26-28,32H,3,5,7-19,22-23,42H2,(H,43,50);1,4-5,7-8,21,23,29-31,34,46H,6,9-20,22,24-25,39H2,2H3,(H,40,48);1,4-7,22,24,29-31,34,46H,8-21,23,25,39H2,2H3,(H,40,48);3-6,21-22,26-27,31H,2,7-20,23,41H2,1H3,(H,42,49)/t28?,32-;2*29-,34?;31-/m1001/s1.

What are the key properties of [(2R)-1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)piperidin-1-yl]-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate;3-[1-[(3S)-3-[(4-amino-3-chloro-5-ethynylphenyl)methyl]-1-hydroxy-4-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]-4-oxobutyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one;3-[1-[(3S)-3-[(4-amino-3-chloro-5-ethynylphenyl)methyl]-1-hydroxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutyl]piperidin-4-yl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one;[(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate?

[(2R)-1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)piperidin-1-yl]-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate;3-[1-[(3S)-3-[(4-amino-3-chloro-5-ethynylphenyl)methyl]-1-hydroxy-4-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]-4-oxobutyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one;3-[1-[(3S)-3-[(4-amino-3-chloro-5-ethynylphenyl)methyl]-1-hydroxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutyl]piperidin-4-yl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one;[(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate has a molecular weight of 2833.15 g/mol, XLogP of 17.96, 29 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)piperidin-1-yl]-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate;3-[1-[(3S)-3-[(4-amino-3-chloro-5-ethynylphenyl)methyl]-1-hydroxy-4-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]-4-oxobutyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one;3-[1-[(3S)-3-[(4-amino-3-chloro-5-ethynylphenyl)methyl]-1-hydroxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutyl]piperidin-4-yl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one;[(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 157139230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).