(2R)-2-amino-N-[(2S)-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-6-piperidin-1-ylhexanamide;3-(1-aminoisoquinolin-6-yl)-1-[(2S)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetyl]pyrrolidin-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-methylquinoline-6-carbonyl)pyrrolidine-3-carboxamide;(2R)-1-[(2S)-2-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)propanoyl]azetidin-1-yl]-4-phenyl-2-(propan-2-ylamino)butan-1-one;(2R)-N-[(2S)-1-(3,4-difluorophenyl)-3-oxo-5-thiophen-2-ylpentan-2-yl]-6-piperidin-1-yl-2-(propan-2-ylamino)hexanamide

C135H167Cl2F4N21O10S — CID 167557478

IUPAC(2R)-2-amino-N-[(2S)-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-6-piperidin-1-ylhexanamide;3-(1-aminoisoquinolin-6-yl)-1-[(2S)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetyl]pyrrolidin-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-methylquinoline-6-carbonyl)pyrrolidine-3-carboxamide;(2R)-1-[(2S)-2-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)propanoyl]azetidin-1-yl]-4-phenyl-2-(propan-2-ylamino)butan-1-one;(2R)-N-[(2S)-1-(3,4-difluorophenyl)-3-oxo-5-thiophen-2-ylpentan-2-yl]-6-piperidin-1-yl-2-(propan-2-ylamino)hexanamide
SMILESCC(C)N[C@H](CCCCN1CCCCC1)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)CCc1cccs1.CC(C)N[C@H](CCc1ccccc1)C(=O)N1CC[C@H]1C(=O)CCc1cnc2[nH]cc(Cl)c2c1.C[C@@H]1CCC[C@H](C)N1CC(=O)N1CCC[C@H]1C(=O)CCc1ccc2c(N)nccc2c1.Cc1ccc2cc(C(=O)N3CCC(C(=O)NCc4ccc5c(N)nccc5c4)C3)ccc2n1.N[C@H](CCCCN1CCCCC1)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)CCc1cnc2[nH]cc(Cl)c2c1
InChIInChI=1S/C29H36ClF2N5O2.C29H41F2N3O2S.C26H31ClN4O2.C26H25N5O2.C25H34N4O2/c30-22-18-35-28-21(22)14-20(17-34-28)8-10-27(38)26(16-19-7-9-23(31)24(32)15-19)36-29(39)25(33)6-2-5-13-37-11-3-1-4-12-37;1-21(2)32-26(10-4-7-17-34-15-5-3-6-16-34)29(36)33-27(20-22-11-13-24(30)25(31)19-22)28(35)14-12-23-9-8-18-37-23;1-17(2)30-22(10-8-18-6-4-3-5-7-18)26(33)31-13-12-23(31)24(32)11-9-19-14-20-21(27)16-29-25(20)28-15-19;1-16-2-4-19-13-20(5-7-23(19)30-16)26(33)31-11-9-21(15-31)25(32)29-14-17-3-6-22-18(12-17)8-10-28-24(22)27;1-17-5-3-6-18(2)29(17)16-24(31)28-14-4-7-22(28)23(30)11-9-19-8-10-21-20(15-19)12-13-27-25(21)26/h7,9,14-15,17-18,25-26H,1-6,8,10-13,16,33H2,(H,34,35)(H,36,39);8-9,11,13,18-19,21,26-27,32H,3-7,10,12,14-17,20H2,1-2H3,(H,33,36);3-7,14-17,22-23,30H,8-13H2,1-2H3,(H,28,29);2-8,10,12-13,21H,9,11,14-15H2,1H3,(H2,27,28)(H,29,32);8,10,12-13,15,17-18,22H,3-7,9,11,14,16H2,1-2H3,(H2,26,27)/t25-,26+;26-,27+;22-,23+;;17-,18+,22-/m111.0/s1
InChIKeyDEUFRFALCOGWQE-JVALOOOQSA-N
MW2422.92 g/mol
LogP21.33
Rot. Bonds48

About (2R)-2-amino-N-[(2S)-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-6-piperidin-1-ylhexanamide;3-(1-aminoisoquinolin-6-yl)-1-[(2S)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetyl]pyrrolidin-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-methylquinoline-6-carbonyl)pyrrolidine-3-carboxamide;(2R)-1-[(2S)-2-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)propanoyl]azetidin-1-yl]-4-phenyl-2-(propan-2-ylamino)butan-1-one;(2R)-N-[(2S)-1-(3,4-difluorophenyl)-3-oxo-5-thiophen-2-ylpentan-2-yl]-6-piperidin-1-yl-2-(propan-2-ylamino)hexanamide

(2R)-2-amino-N-[(2S)-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-6-piperidin-1-ylhexanamide;3-(1-aminoisoquinolin-6-yl)-1-[(2S)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetyl]pyrrolidin-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-methylquinoline-6-carbonyl)pyrrolidine-3-carboxamide;(2R)-1-[(2S)-2-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)propanoyl]azetidin-1-yl]-4-phenyl-2-(propan-2-ylamino)butan-1-one;(2R)-N-[(2S)-1-(3,4-difluorophenyl)-3-oxo-5-thiophen-2-ylpentan-2-yl]-6-piperidin-1-yl-2-(propan-2-ylamino)hexanamide (PubChem CID 167557478) has the molecular formula C135H167Cl2F4N21O10S and a molecular weight of 2422.92 g/mol. Its IUPAC name is (2R)-2-amino-N-[(2S)-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-6-piperidin-1-ylhexanamide;3-(1-aminoisoquinolin-6-yl)-1-[(2S)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetyl]pyrrolidin-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-methylquinoline-6-carbonyl)pyrrolidine-3-carboxamide;(2R)-1-[(2S)-2-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)propanoyl]azetidin-1-yl]-4-phenyl-2-(propan-2-ylamino)butan-1-one;(2R)-N-[(2S)-1-(3,4-difluorophenyl)-3-oxo-5-thiophen-2-ylpentan-2-yl]-6-piperidin-1-yl-2-(propan-2-ylamino)hexanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(2S)-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-6-piperidin-1-ylhexanamide;3-(1-aminoisoquinolin-6-yl)-1-[(2S)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetyl]pyrrolidin-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-methylquinoline-6-carbonyl)pyrrolidine-3-carboxamide;(2R)-1-[(2S)-2-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)propanoyl]azetidin-1-yl]-4-phenyl-2-(propan-2-ylamino)butan-1-one;(2R)-N-[(2S)-1-(3,4-difluorophenyl)-3-oxo-5-thiophen-2-ylpentan-2-yl]-6-piperidin-1-yl-2-(propan-2-ylamino)hexanamide
PubChem CID167557478
Molecular FormulaC135H167Cl2F4N21O10S
Molecular Weight2422.92 g/mol
Exact Mass2420.22
IUPAC Name(2R)-2-amino-N-[(2S)-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-6-piperidin-1-ylhexanamide;3-(1-aminoisoquinolin-6-yl)-1-[(2S)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetyl]pyrrolidin-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-methylquinoline-6-carbonyl)pyrrolidine-3-carboxamide;(2R)-1-[(2S)-2-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)propanoyl]azetidin-1-yl]-4-phenyl-2-(propan-2-ylamino)butan-1-one;(2R)-N-[(2S)-1-(3,4-difluorophenyl)-3-oxo-5-thiophen-2-ylpentan-2-yl]-6-piperidin-1-yl-2-(propan-2-ylamino)hexanamide
SMILESCC(C)N[C@H](CCCCN1CCCCC1)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)CCc1cccs1.CC(C)N[C@H](CCc1ccccc1)C(=O)N1CC[C@H]1C(=O)CCc1cnc2[nH]cc(Cl)c2c1.C[C@@H]1CCC[C@H](C)N1CC(=O)N1CCC[C@H]1C(=O)CCc1ccc2c(N)nccc2c1.Cc1ccc2cc(C(=O)N3CCC(C(=O)NCc4ccc5c(N)nccc5c4)C3)ccc2n1.N[C@H](CCCCN1CCCCC1)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)CCc1cnc2[nH]cc(Cl)c2c1
InChIInChI=1S/C29H36ClF2N5O2.C29H41F2N3O2S.C26H31ClN4O2.C26H25N5O2.C25H34N4O2/c30-22-18-35-28-21(22)14-20(17-34-28)8-10-27(38)26(16-19-7-9-23(31)24(32)15-19)36-29(39)25(33)6-2-5-13-37-11-3-1-4-12-37;1-21(2)32-26(10-4-7-17-34-15-5-3-6-16-34)29(36)33-27(20-22-11-13-24(30)25(31)19-22)28(35)14-12-23-9-8-18-37-23;1-17(2)30-22(10-8-18-6-4-3-5-7-18)26(33)31-13-12-23(31)24(32)11-9-19-14-20-21(27)16-29-25(20)28-15-19;1-16-2-4-19-13-20(5-7-23(19)30-16)26(33)31-11-9-21(15-31)25(32)29-14-17-3-6-22-18(12-17)8-10-28-24(22)27;1-17-5-3-6-18(2)29(17)16-24(31)28-14-4-7-22(28)23(30)11-9-19-8-10-21-20(15-19)12-13-27-25(21)26/h7,9,14-15,17-18,25-26H,1-6,8,10-13,16,33H2,(H,34,35)(H,36,39);8-9,11,13,18-19,21,26-27,32H,3-7,10,12,14-17,20H2,1-2H3,(H,33,36);3-7,14-17,22-23,30H,8-13H2,1-2H3,(H,28,29);2-8,10,12-13,21H,9,11,14-15H2,1H3,(H2,27,28)(H,29,32);8,10,12-13,15,17-18,22H,3-7,9,11,14,16H2,1-2H3,(H2,26,27)/t25-,26+;26-,27+;22-,23+;;17-,18+,22-/m111.0/s1
InChIKeyDEUFRFALCOGWQE-JVALOOOQSA-N
XLogP21.33
TPSA424.38 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds48
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002422.92
LogP ≤ 521.33
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-N-[(2S)-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-6-piperidin-1-ylhexanamide;3-(1-aminoisoquinolin-6-yl)-1-[(2S)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetyl]pyrrolidin-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-methylquinoline-6-carbonyl)pyrrolidine-3-carboxamide;(2R)-1-[(2S)-2-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)propanoyl]azetidin-1-yl]-4-phenyl-2-(propan-2-ylamino)butan-1-one;(2R)-N-[(2S)-1-(3,4-difluorophenyl)-3-oxo-5-thiophen-2-ylpentan-2-yl]-6-piperidin-1-yl-2-(propan-2-ylamino)hexanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(2S)-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-6-piperidin-1-ylhexanamide;3-(1-aminoisoquinolin-6-yl)-1-[(2S)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetyl]pyrrolidin-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-methylquinoline-6-carbonyl)pyrrolidine-3-carboxamide;(2R)-1-[(2S)-2-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)propanoyl]azetidin-1-yl]-4-phenyl-2-(propan-2-ylamino)butan-1-one;(2R)-N-[(2S)-1-(3,4-difluorophenyl)-3-oxo-5-thiophen-2-ylpentan-2-yl]-6-piperidin-1-yl-2-(propan-2-ylamino)hexanamide?
The IUPAC name of (2R)-2-amino-N-[(2S)-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-6-piperidin-1-ylhexanamide;3-(1-aminoisoquinolin-6-yl)-1-[(2S)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetyl]pyrrolidin-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-methylquinoline-6-carbonyl)pyrrolidine-3-carboxamide;(2R)-1-[(2S)-2-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)propanoyl]azetidin-1-yl]-4-phenyl-2-(propan-2-ylamino)butan-1-one;(2R)-N-[(2S)-1-(3,4-difluorophenyl)-3-oxo-5-thiophen-2-ylpentan-2-yl]-6-piperidin-1-yl-2-(propan-2-ylamino)hexanamide (CID 167557478) is (2R)-2-amino-N-[(2S)-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-6-piperidin-1-ylhexanamide;3-(1-aminoisoquinolin-6-yl)-1-[(2S)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetyl]pyrrolidin-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-methylquinoline-6-carbonyl)pyrrolidine-3-carboxamide;(2R)-1-[(2S)-2-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)propanoyl]azetidin-1-yl]-4-phenyl-2-(propan-2-ylamino)butan-1-one;(2R)-N-[(2S)-1-(3,4-difluorophenyl)-3-oxo-5-thiophen-2-ylpentan-2-yl]-6-piperidin-1-yl-2-(propan-2-ylamino)hexanamide.
What is the SMILES notation for (2R)-2-amino-N-[(2S)-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-6-piperidin-1-ylhexanamide;3-(1-aminoisoquinolin-6-yl)-1-[(2S)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetyl]pyrrolidin-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-methylquinoline-6-carbonyl)pyrrolidine-3-carboxamide;(2R)-1-[(2S)-2-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)propanoyl]azetidin-1-yl]-4-phenyl-2-(propan-2-ylamino)butan-1-one;(2R)-N-[(2S)-1-(3,4-difluorophenyl)-3-oxo-5-thiophen-2-ylpentan-2-yl]-6-piperidin-1-yl-2-(propan-2-ylamino)hexanamide?
The canonical SMILES for (2R)-2-amino-N-[(2S)-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-6-piperidin-1-ylhexanamide;3-(1-aminoisoquinolin-6-yl)-1-[(2S)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetyl]pyrrolidin-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-methylquinoline-6-carbonyl)pyrrolidine-3-carboxamide;(2R)-1-[(2S)-2-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)propanoyl]azetidin-1-yl]-4-phenyl-2-(propan-2-ylamino)butan-1-one;(2R)-N-[(2S)-1-(3,4-difluorophenyl)-3-oxo-5-thiophen-2-ylpentan-2-yl]-6-piperidin-1-yl-2-(propan-2-ylamino)hexanamide is CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)CCc1cccs1.CC(C)N[C@H](CCc1ccccc1)C(=O)N1CC[C@H]1C(=O)CCc1cnc2[nH]cc(Cl)c2c1.C[C@@H]1CCC[C@H](C)N1CC(=O)N1CCC[C@H]1C(=O)CCc1ccc2c(N)nccc2c1.Cc1ccc2cc(C(=O)N3CCC(C(=O)NCc4ccc5c(N)nccc5c4)C3)ccc2n1.N[C@H](CCCCN1CCCCC1)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)CCc1cnc2[nH]cc(Cl)c2c1.
What is the InChIKey of (2R)-2-amino-N-[(2S)-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-6-piperidin-1-ylhexanamide;3-(1-aminoisoquinolin-6-yl)-1-[(2S)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetyl]pyrrolidin-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-methylquinoline-6-carbonyl)pyrrolidine-3-carboxamide;(2R)-1-[(2S)-2-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)propanoyl]azetidin-1-yl]-4-phenyl-2-(propan-2-ylamino)butan-1-one;(2R)-N-[(2S)-1-(3,4-difluorophenyl)-3-oxo-5-thiophen-2-ylpentan-2-yl]-6-piperidin-1-yl-2-(propan-2-ylamino)hexanamide?
The InChIKey is DEUFRFALCOGWQE-JVALOOOQSA-N. The full InChI is InChI=1S/C29H36ClF2N5O2.C29H41F2N3O2S.C26H31ClN4O2.C26H25N5O2.C25H34N4O2/c30-22-18-35-28-21(22)14-20(17-34-28)8-10-27(38)26(16-19-7-9-23(31)24(32)15-19)36-29(39)25(33)6-2-5-13-37-11-3-1-4-12-37;1-21(2)32-26(10-4-7-17-34-15-5-3-6-16-34)29(36)33-27(20-22-11-13-24(30)25(31)19-22)28(35)14-12-23-9-8-18-37-23;1-17(2)30-22(10-8-18-6-4-3-5-7-18)26(33)31-13-12-23(31)24(32)11-9-19-14-20-21(27)16-29-25(20)28-15-19;1-16-2-4-19-13-20(5-7-23(19)30-16)26(33)31-11-9-21(15-31)25(32)29-14-17-3-6-22-18(12-17)8-10-28-24(22)27;1-17-5-3-6-18(2)29(17)16-24(31)28-14-4-7-22(28)23(30)11-9-19-8-10-21-20(15-19)12-13-27-25(21)26/h7,9,14-15,17-18,25-26H,1-6,8,10-13,16,33H2,(H,34,35)(H,36,39);8-9,11,13,18-19,21,26-27,32H,3-7,10,12,14-17,20H2,1-2H3,(H,33,36);3-7,14-17,22-23,30H,8-13H2,1-2H3,(H,28,29);2-8,10,12-13,21H,9,11,14-15H2,1H3,(H2,27,28)(H,29,32);8,10,12-13,15,17-18,22H,3-7,9,11,14,16H2,1-2H3,(H2,26,27)/t25-,26+;26-,27+;22-,23+;;17-,18+,22-/m111.0/s1.
What are the key properties of (2R)-2-amino-N-[(2S)-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-6-piperidin-1-ylhexanamide;3-(1-aminoisoquinolin-6-yl)-1-[(2S)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetyl]pyrrolidin-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-methylquinoline-6-carbonyl)pyrrolidine-3-carboxamide;(2R)-1-[(2S)-2-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)propanoyl]azetidin-1-yl]-4-phenyl-2-(propan-2-ylamino)butan-1-one;(2R)-N-[(2S)-1-(3,4-difluorophenyl)-3-oxo-5-thiophen-2-ylpentan-2-yl]-6-piperidin-1-yl-2-(propan-2-ylamino)hexanamide?
(2R)-2-amino-N-[(2S)-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-6-piperidin-1-ylhexanamide;3-(1-aminoisoquinolin-6-yl)-1-[(2S)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetyl]pyrrolidin-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-methylquinoline-6-carbonyl)pyrrolidine-3-carboxamide;(2R)-1-[(2S)-2-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)propanoyl]azetidin-1-yl]-4-phenyl-2-(propan-2-ylamino)butan-1-one;(2R)-N-[(2S)-1-(3,4-difluorophenyl)-3-oxo-5-thiophen-2-ylpentan-2-yl]-6-piperidin-1-yl-2-(propan-2-ylamino)hexanamide has a molecular weight of 2422.92 g/mol, XLogP of 21.33, 48 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(2S)-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-6-piperidin-1-ylhexanamide;3-(1-aminoisoquinolin-6-yl)-1-[(2S)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetyl]pyrrolidin-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-methylquinoline-6-carbonyl)pyrrolidine-3-carboxamide;(2R)-1-[(2S)-2-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)propanoyl]azetidin-1-yl]-4-phenyl-2-(propan-2-ylamino)butan-1-one;(2R)-N-[(2S)-1-(3,4-difluorophenyl)-3-oxo-5-thiophen-2-ylpentan-2-yl]-6-piperidin-1-yl-2-(propan-2-ylamino)hexanamide is sourced from PubChem (CID 167557478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).