6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[[[(2R)-4-amino-1-(triazol-1-yl)butan-2-yl]amino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-[2-(1H-imidazol-2-yl)ethyl]piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;N'-[2-[(2S,6S)-6-[4-[6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one

C125H144Cl4F4N32O4 — CID 159510166

IUPAC6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[[[(2R)-4-amino-1-(triazol-1-yl)butan-2-yl]amino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-[2-(1H-imidazol-2-yl)ethyl]piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;N'-[2-[(2S,6S)-6-[4-[6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESC/C(N)=N\CC[C@@H]1CCC[C@@H](c2ccc(-n3cc4cc(-c5cc(CCC[C@H](C)N)cc(Cl)c5F)[nH]c4nc3=O)cc2)N1.C[C@H](N)CCCc1cc(Cl)c(F)c(-c2cc3cn(-c4ccc(CN[C@H](CCN)Cn5ccnn5)cc4)c(=O)nc3[nH]2)c1.C[C@H](N)CCCc1cc(Cl)c(F)c(-c2cc3cn(-c4ccc([C@@H]5CCC[C@@H](CCc6ncc[nH]6)N5)cc4)c(=O)nc3[nH]2)c1.C[C@H](N)CCCc1cc(Cl)c(F)c(-c2cc3cn(-c4ccc([C@@H]5CCC[C@@H](Cc6nn[nH]n6)N5)cc4)c(=O)nc3[nH]2)c1
InChIInChI=1S/C33H37ClFN7O.C32H39ClFN7O.C30H33ClFN9O.C30H35ClFN9O/c1-20(36)4-2-5-21-16-26(31(35)27(34)17-21)29-18-23-19-42(33(43)41-32(23)40-29)25-11-8-22(9-12-25)28-7-3-6-24(39-28)10-13-30-37-14-15-38-30;1-19(35)5-3-6-21-15-26(30(34)27(33)16-21)29-17-23-18-41(32(42)40-31(23)39-29)25-11-9-22(10-12-25)28-8-4-7-24(38-28)13-14-37-20(2)36;1-17(33)4-2-5-18-12-23(28(32)24(31)13-18)26-14-20-16-41(30(42)36-29(20)35-26)22-10-8-19(9-11-22)25-7-3-6-21(34-25)15-27-37-39-40-38-27;1-19(34)3-2-4-21-13-25(28(32)26(31)14-21)27-15-22-17-41(30(42)38-29(22)37-27)24-7-5-20(6-8-24)16-35-23(9-10-33)18-40-12-11-36-39-40/h8-9,11-12,14-20,24,28,39H,2-7,10,13,36H2,1H3,(H,37,38)(H,40,41,43);9-12,15-19,24,28,38H,3-8,13-14,35H2,1-2H3,(H2,36,37)(H,39,40,42);8-14,16-17,21,25,34H,2-7,15,33H2,1H3,(H,35,36,42)(H,37,38,39,40);5-8,11-15,17,19,23,35H,2-4,9-10,16,18,33-34H2,1H3,(H,37,38,42)/t20-,24-,28-;19-,24-,28-;17-,21-,25-;19-,23+/m0000/s1
InChIKeyMAMLRQYPBIDWOR-MITXGVLKSA-N
MW2376.55 g/mol
LogP20.90
Rot. Bonds42

About 6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[[[(2R)-4-amino-1-(triazol-1-yl)butan-2-yl]amino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-[2-(1H-imidazol-2-yl)ethyl]piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;N'-[2-[(2S,6S)-6-[4-[6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one

6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[[[(2R)-4-amino-1-(triazol-1-yl)butan-2-yl]amino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-[2-(1H-imidazol-2-yl)ethyl]piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;N'-[2-[(2S,6S)-6-[4-[6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 159510166) has the molecular formula C125H144Cl4F4N32O4 and a molecular weight of 2376.55 g/mol. Its IUPAC name is 6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[[[(2R)-4-amino-1-(triazol-1-yl)butan-2-yl]amino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-[2-(1H-imidazol-2-yl)ethyl]piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;N'-[2-[(2S,6S)-6-[4-[6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[[[(2R)-4-amino-1-(triazol-1-yl)butan-2-yl]amino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-[2-(1H-imidazol-2-yl)ethyl]piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;N'-[2-[(2S,6S)-6-[4-[6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one
PubChem CID159510166
Molecular FormulaC125H144Cl4F4N32O4
Molecular Weight2376.55 g/mol
Exact Mass2373.07
IUPAC Name6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[[[(2R)-4-amino-1-(triazol-1-yl)butan-2-yl]amino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-[2-(1H-imidazol-2-yl)ethyl]piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;N'-[2-[(2S,6S)-6-[4-[6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESC/C(N)=N\CC[C@@H]1CCC[C@@H](c2ccc(-n3cc4cc(-c5cc(CCC[C@H](C)N)cc(Cl)c5F)[nH]c4nc3=O)cc2)N1.C[C@H](N)CCCc1cc(Cl)c(F)c(-c2cc3cn(-c4ccc(CN[C@H](CCN)Cn5ccnn5)cc4)c(=O)nc3[nH]2)c1.C[C@H](N)CCCc1cc(Cl)c(F)c(-c2cc3cn(-c4ccc([C@@H]5CCC[C@@H](CCc6ncc[nH]6)N5)cc4)c(=O)nc3[nH]2)c1.C[C@H](N)CCCc1cc(Cl)c(F)c(-c2cc3cn(-c4ccc([C@@H]5CCC[C@@H](Cc6nn[nH]n6)N5)cc4)c(=O)nc3[nH]2)c1
InChIInChI=1S/C33H37ClFN7O.C32H39ClFN7O.C30H33ClFN9O.C30H35ClFN9O/c1-20(36)4-2-5-21-16-26(31(35)27(34)17-21)29-18-23-19-42(33(43)41-32(23)40-29)25-11-8-22(9-12-25)28-7-3-6-24(39-28)10-13-30-37-14-15-38-30;1-19(35)5-3-6-21-15-26(30(34)27(33)16-21)29-17-23-18-41(32(42)40-31(23)39-29)25-11-9-22(10-12-25)28-8-4-7-24(38-28)13-14-37-20(2)36;1-17(33)4-2-5-18-12-23(28(32)24(31)13-18)26-14-20-16-41(30(42)36-29(20)35-26)22-10-8-19(9-11-22)25-7-3-6-21(34-25)15-27-37-39-40-38-27;1-19(34)3-2-4-21-13-25(28(32)26(31)14-21)27-15-22-17-41(30(42)38-29(22)37-27)24-7-5-20(6-8-24)16-35-23(9-10-33)18-40-12-11-36-39-40/h8-9,11-12,14-20,24,28,39H,2-7,10,13,36H2,1H3,(H,37,38)(H,40,41,43);9-12,15-19,24,28,38H,3-8,13-14,35H2,1-2H3,(H2,36,37)(H,39,40,42);8-14,16-17,21,25,34H,2-7,15,33H2,1H3,(H,35,36,42)(H,37,38,39,40);5-8,11-15,17,19,23,35H,2-4,9-10,16,18,33-34H2,1H3,(H,37,38,42)/t20-,24-,28-;19-,24-,28-;17-,21-,25-;19-,23+/m0000/s1
InChIKeyMAMLRQYPBIDWOR-MITXGVLKSA-N
XLogP20.90
TPSA533.17 Ų
H-Bond Donors16
H-Bond Acceptors29
Rotatable Bonds42
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002376.55
LogP ≤ 520.90
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[[[(2R)-4-amino-1-(triazol-1-yl)butan-2-yl]amino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-[2-(1H-imidazol-2-yl)ethyl]piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;N'-[2-[(2S,6S)-6-[4-[6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[[[(2R)-4-amino-1-(triazol-1-yl)butan-2-yl]amino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-[2-(1H-imidazol-2-yl)ethyl]piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;N'-[2-[(2S,6S)-6-[4-[6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[[[(2R)-4-amino-1-(triazol-1-yl)butan-2-yl]amino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-[2-(1H-imidazol-2-yl)ethyl]piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;N'-[2-[(2S,6S)-6-[4-[6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one (CID 159510166) is 6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[[[(2R)-4-amino-1-(triazol-1-yl)butan-2-yl]amino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-[2-(1H-imidazol-2-yl)ethyl]piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;N'-[2-[(2S,6S)-6-[4-[6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[[[(2R)-4-amino-1-(triazol-1-yl)butan-2-yl]amino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-[2-(1H-imidazol-2-yl)ethyl]piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;N'-[2-[(2S,6S)-6-[4-[6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[[[(2R)-4-amino-1-(triazol-1-yl)butan-2-yl]amino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-[2-(1H-imidazol-2-yl)ethyl]piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;N'-[2-[(2S,6S)-6-[4-[6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one is C/C(N)=N\CC[C@@H]1CCC[C@@H](c2ccc(-n3cc4cc(-c5cc(CCC[C@H](C)N)cc(Cl)c5F)[nH]c4nc3=O)cc2)N1.C[C@H](N)CCCc1cc(Cl)c(F)c(-c2cc3cn(-c4ccc(CN[C@H](CCN)Cn5ccnn5)cc4)c(=O)nc3[nH]2)c1.C[C@H](N)CCCc1cc(Cl)c(F)c(-c2cc3cn(-c4ccc([C@@H]5CCC[C@@H](CCc6ncc[nH]6)N5)cc4)c(=O)nc3[nH]2)c1.C[C@H](N)CCCc1cc(Cl)c(F)c(-c2cc3cn(-c4ccc([C@@H]5CCC[C@@H](Cc6nn[nH]n6)N5)cc4)c(=O)nc3[nH]2)c1.
What is the InChIKey of 6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[[[(2R)-4-amino-1-(triazol-1-yl)butan-2-yl]amino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-[2-(1H-imidazol-2-yl)ethyl]piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;N'-[2-[(2S,6S)-6-[4-[6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is MAMLRQYPBIDWOR-MITXGVLKSA-N. The full InChI is InChI=1S/C33H37ClFN7O.C32H39ClFN7O.C30H33ClFN9O.C30H35ClFN9O/c1-20(36)4-2-5-21-16-26(31(35)27(34)17-21)29-18-23-19-42(33(43)41-32(23)40-29)25-11-8-22(9-12-25)28-7-3-6-24(39-28)10-13-30-37-14-15-38-30;1-19(35)5-3-6-21-15-26(30(34)27(33)16-21)29-17-23-18-41(32(42)40-31(23)39-29)25-11-9-22(10-12-25)28-8-4-7-24(38-28)13-14-37-20(2)36;1-17(33)4-2-5-18-12-23(28(32)24(31)13-18)26-14-20-16-41(30(42)36-29(20)35-26)22-10-8-19(9-11-22)25-7-3-6-21(34-25)15-27-37-39-40-38-27;1-19(34)3-2-4-21-13-25(28(32)26(31)14-21)27-15-22-17-41(30(42)38-29(22)37-27)24-7-5-20(6-8-24)16-35-23(9-10-33)18-40-12-11-36-39-40/h8-9,11-12,14-20,24,28,39H,2-7,10,13,36H2,1H3,(H,37,38)(H,40,41,43);9-12,15-19,24,28,38H,3-8,13-14,35H2,1-2H3,(H2,36,37)(H,39,40,42);8-14,16-17,21,25,34H,2-7,15,33H2,1H3,(H,35,36,42)(H,37,38,39,40);5-8,11-15,17,19,23,35H,2-4,9-10,16,18,33-34H2,1H3,(H,37,38,42)/t20-,24-,28-;19-,24-,28-;17-,21-,25-;19-,23+/m0000/s1.
What are the key properties of 6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[[[(2R)-4-amino-1-(triazol-1-yl)butan-2-yl]amino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-[2-(1H-imidazol-2-yl)ethyl]piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;N'-[2-[(2S,6S)-6-[4-[6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one?
6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[[[(2R)-4-amino-1-(triazol-1-yl)butan-2-yl]amino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-[2-(1H-imidazol-2-yl)ethyl]piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;N'-[2-[(2S,6S)-6-[4-[6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 2376.55 g/mol, XLogP of 20.90, 42 rotatable bonds, 16 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[[[(2R)-4-amino-1-(triazol-1-yl)butan-2-yl]amino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-[2-(1H-imidazol-2-yl)ethyl]piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one;N'-[2-[(2S,6S)-6-[4-[6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;6-[5-[(4S)-4-aminopentyl]-3-chloro-2-fluorophenyl]-3-[4-[(2S,6S)-6-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 159510166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).