N-[2-[3-[6-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropoxy]ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide;N-[2-[8-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-3-oxooctoxy]ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide;bis([(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 3-[2-[4-(3-ethoxypropanoyl)piperazin-1-yl]pyrimidin-5-yl]propanoate)

C205H287N35O40 — CID 163817651

About N-[2-[3-[6-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropoxy]ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide;N-[2-[8-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-3-oxooctoxy]ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide;bis([(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 3-[2-[4-(3-ethoxypropanoyl)piperazin-1-yl]pyrimidin-5-yl]propanoate)

N-[2-[3-[6-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropoxy]ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide;N-[2-[8-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-3-oxooctoxy]ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide;bis([(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 3-[2-[4-(3-ethoxypropanoyl)piperazin-1-yl]pyrimidin-5-yl]propanoate) (PubChem CID 163817651) has the molecular formula C205H287N35O40 and a molecular weight of 3881.76 g/mol. Its IUPAC name is N-[2-[3-[6-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropoxy]ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide;N-[2-[8-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-3-oxooctoxy]ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide;bis([(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 3-[2-[4-(3-ethoxypropanoyl)piperazin-1-yl]pyrimidin-5-yl]propanoate).

Molecular Properties

• Compound Name: N-[2-[3-[6-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropoxy]ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide;N-[2-[8-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-3-oxooctoxy]ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide;bis([(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 3-[2-[4-(3-ethoxypropanoyl)piperazin-1-yl]pyrimidin-5-yl]propanoate)
• PubChem CID: 163817651
• Molecular Formula: C205H287N35O40
• Molecular Weight: 3881.76 g/mol
• Exact Mass: 3879.15
• IUPAC Name: N-[2-[3-[6-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropoxy]ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide;N-[2-[8-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-3-oxooctoxy]ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide;bis([(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 3-[2-[4-(3-ethoxypropanoyl)piperazin-1-yl]pyrimidin-5-yl]propanoate)
• SMILES: CCN1CCN(c2ncc(C(=O)NCCOCCC(=O)CCCCCn3nc(-c4ccc5oc(N)nc5c4)c4c(N)ncnc43)cn2)CC1.CCN1CCN(c2ncc(C(=O)NCCOCCC(=O)N3CCc4cc(Cn5nc(-c6ccc7oc(N)nc7c6)c6c(N)ncnc65)ccc4C3)cn2)CC1.CCOCCC(=O)N1CCN(c2ncc(CCC(=O)O[C@@H]3CC[C@@H](C[C@@H](C)[C@@H]4CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)C(C)C[C@H](C)/C=C\C=C\C=C(/C)[C@@H](OC)C[C@@H]5CC[C@@H](C)[C@@](O)(O5)C(=O)C(=O)N5CCCC[C@H]5C(=O)O4)C[C@H]3OC)cn2)CC1.CCOCCC(=O)N1CCN(c2ncc(CCC(=O)O[C@@H]3CC[C@@H](C[C@@H](C)[C@@H]4CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)C(C)C[C@H](C)/C=C\C=C\C=C(/C)[C@@H](OC)C[C@@H]5CC[C@@H](C)[C@@](O)(O5)C(=O)C(=O)N5CCCC[C@H]5C(=O)O4)C[C@H]3OC)cn2)CC1
• InChI: InChI=1S/2C67H101N5O16.C38H43N13O4.C33H42N12O4/c2*1-12-85-33-27-58(74)70-29-31-71(32-30-70)66-68-40-50(41-69-66)23-26-59(75)86-54-25-22-49(37-57(54)83-10)36-45(5)56-39-53(73)44(4)35-47(7)61(77)62(84-11)60(76)46(6)34-42(2)18-14-13-15-19-43(3)55(82-9)38-51-24-21-48(8)67(81,88-51)63(78)64(79)72-28-17-16-20-52(72)65(80)87-56;1-2-48-11-13-49(14-12-48)38-42-19-28(20-43-38)36(53)41-9-16-54-15-8-31(52)50-10-7-25-17-24(3-4-27(25)22-50)21-51-35-32(34(39)44-23-45-35)33(47-51)26-5-6-30-29(18-26)46-37(40)55-30;1-2-43-12-14-44(15-13-43)33-37-19-23(20-38-33)31(47)36-10-17-48-16-9-24(46)6-4-3-5-11-45-30-27(29(34)39-21-40-30)28(42-45)22-7-8-26-25(18-22)41-32(35)49-26/h2*13-15,18-19,35,40-42,44-46,48-49,51-52,54-57,61-62,77,81H,12,16-17,20-34,36-39H2,1-11H3;3-6,17-20,23H,2,7-16,21-22H2,1H3,(H2,40,46)(H,41,53)(H2,39,44,45);7-8,18-21H,2-6,9-17H2,1H3,(H2,35,41)(H,36,47)(H2,34,39,40)/b2*15-13+,18-14-,43-19+,47-35+;;/t2*42-,44-,45-,46?,48-,49+,51+,52+,54-,55+,56+,57-,61-,62+,67-;;/m11../s1
• InChIKey: NSRWCFBSRWBTEA-YGFFYVEFSA-N
• XLogP: 19.66
• TPSA: 942.02 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 68
• Rotatable Bonds: 58
• Heavy Atoms: 280
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3881.76
LogP ≤ 5	19.66
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	68

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[6-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropoxy]ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide;N-[2-[8-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-3-oxooctoxy]ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide;bis([(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 3-[2-[4-(3-ethoxypropanoyl)piperazin-1-yl]pyrimidin-5-yl]propanoate)?

The IUPAC name of N-[2-[3-[6-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropoxy]ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide;N-[2-[8-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-3-oxooctoxy]ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide;bis([(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 3-[2-[4-(3-ethoxypropanoyl)piperazin-1-yl]pyrimidin-5-yl]propanoate) (CID 163817651) is N-[2-[3-[6-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropoxy]ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide;N-[2-[8-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-3-oxooctoxy]ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide;bis([(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 3-[2-[4-(3-ethoxypropanoyl)piperazin-1-yl]pyrimidin-5-yl]propanoate).

What is the SMILES notation for N-[2-[3-[6-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropoxy]ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide;N-[2-[8-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-3-oxooctoxy]ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide;bis([(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 3-[2-[4-(3-ethoxypropanoyl)piperazin-1-yl]pyrimidin-5-yl]propanoate)?

The canonical SMILES for N-[2-[3-[6-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropoxy]ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide;N-[2-[8-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-3-oxooctoxy]ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide;bis([(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 3-[2-[4-(3-ethoxypropanoyl)piperazin-1-yl]pyrimidin-5-yl]propanoate) is CCN1CCN(c2ncc(C(=O)NCCOCCC(=O)CCCCCn3nc(-c4ccc5oc(N)nc5c4)c4c(N)ncnc43)cn2)CC1.CCN1CCN(c2ncc(C(=O)NCCOCCC(=O)N3CCc4cc(Cn5nc(-c6ccc7oc(N)nc7c6)c6c(N)ncnc65)ccc4C3)cn2)CC1.CCOCCC(=O)N1CCN(c2ncc(CCC(=O)O[C@@H]3CC[C@@H](C[C@@H](C)[C@@H]4CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)C(C)C[C@H](C)/C=C\C=C\C=C(/C)[C@@H](OC)C[C@@H]5CC[C@@H](C)[C@@](O)(O5)C(=O)C(=O)N5CCCC[C@H]5C(=O)O4)C[C@H]3OC)cn2)CC1.CCOCCC(=O)N1CCN(c2ncc(CCC(=O)O[C@@H]3CC[C@@H](C[C@@H](C)[C@@H]4CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)C(C)C[C@H](C)/C=C\C=C\C=C(/C)[C@@H](OC)C[C@@H]5CC[C@@H](C)[C@@](O)(O5)C(=O)C(=O)N5CCCC[C@H]5C(=O)O4)C[C@H]3OC)cn2)CC1.

What is the InChIKey of N-[2-[3-[6-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropoxy]ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide;N-[2-[8-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-3-oxooctoxy]ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide;bis([(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 3-[2-[4-(3-ethoxypropanoyl)piperazin-1-yl]pyrimidin-5-yl]propanoate)?

The InChIKey is NSRWCFBSRWBTEA-YGFFYVEFSA-N. The full InChI is InChI=1S/2C67H101N5O16.C38H43N13O4.C33H42N12O4/c2*1-12-85-33-27-58(74)70-29-31-71(32-30-70)66-68-40-50(41-69-66)23-26-59(75)86-54-25-22-49(37-57(54)83-10)36-45(5)56-39-53(73)44(4)35-47(7)61(77)62(84-11)60(76)46(6)34-42(2)18-14-13-15-19-43(3)55(82-9)38-51-24-21-48(8)67(81,88-51)63(78)64(79)72-28-17-16-20-52(72)65(80)87-56;1-2-48-11-13-49(14-12-48)38-42-19-28(20-43-38)36(53)41-9-16-54-15-8-31(52)50-10-7-25-17-24(3-4-27(25)22-50)21-51-35-32(34(39)44-23-45-35)33(47-51)26-5-6-30-29(18-26)46-37(40)55-30;1-2-43-12-14-44(15-13-43)33-37-19-23(20-38-33)31(47)36-10-17-48-16-9-24(46)6-4-3-5-11-45-30-27(29(34)39-21-40-30)28(42-45)22-7-8-26-25(18-22)41-32(35)49-26/h2*13-15,18-19,35,40-42,44-46,48-49,51-52,54-57,61-62,77,81H,12,16-17,20-34,36-39H2,1-11H3;3-6,17-20,23H,2,7-16,21-22H2,1H3,(H2,40,46)(H,41,53)(H2,39,44,45);7-8,18-21H,2-6,9-17H2,1H3,(H2,35,41)(H,36,47)(H2,34,39,40)/b2*15-13+,18-14-,43-19+,47-35+;;/t2*42-,44-,45-,46?,48-,49+,51+,52+,54-,55+,56+,57-,61-,62+,67-;;/m11../s1.

What are the key properties of N-[2-[3-[6-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropoxy]ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide;N-[2-[8-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-3-oxooctoxy]ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide;bis([(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 3-[2-[4-(3-ethoxypropanoyl)piperazin-1-yl]pyrimidin-5-yl]propanoate)?

N-[2-[3-[6-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropoxy]ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide;N-[2-[8-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-3-oxooctoxy]ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide;bis([(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 3-[2-[4-(3-ethoxypropanoyl)piperazin-1-yl]pyrimidin-5-yl]propanoate) has a molecular weight of 3881.76 g/mol, XLogP of 19.66, 58 rotatable bonds, 10 hydrogen bond donors, and 68 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[6-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropoxy]ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide;N-[2-[8-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-3-oxooctoxy]ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide;bis([(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 3-[2-[4-(3-ethoxypropanoyl)piperazin-1-yl]pyrimidin-5-yl]propanoate) is sourced from PubChem (CID 163817651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).