N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolidine-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;(2S)-N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylbutanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[5-bromo-4-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide

C110H153BrClFN30O8S — CID 159349078

IUPACN-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolidine-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;(2S)-N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylbutanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[5-bromo-4-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide
SMILESCC(C)Sc1cnc2[nH]cc(NC(=O)C3CC3)c2c1N1CCC[C@@H](N)C1.CC(C)c1cnc2[nH]cc(NC(=O)C3CC3)c2c1N1CCC[C@@H](N)C1.CCOc1cnc2[nH]cc(NC(=O)C3CC3)c2c1N1CCC[C@@H](N)C1.CC[C@H](C)C(=O)Nc1c[nH]c2ncc(F)c(N3CCC[C@@H](N)C3)c12.COCCC[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)C4CC4)c23)C1.N[C@@H]1CCCN(c2c(Cl)cnc3[nH]cc(NC(=O)N4CCCC4)c23)C1
InChIInChI=1S/C20H27BrN4O2.C19H27N5OS.C19H27N5O.C18H25N5O2.C17H23ClN6O.C17H24FN5O/c1-27-9-3-5-13-4-2-8-25(12-13)18-15(21)10-22-19-17(18)16(11-23-19)24-20(26)14-6-7-14;1-11(2)26-15-9-22-18-16(17(15)24-7-3-4-13(20)10-24)14(8-21-18)23-19(25)12-5-6-12;1-11(2)14-8-21-18-16(17(14)24-7-3-4-13(20)10-24)15(9-22-18)23-19(25)12-5-6-12;1-2-25-14-9-21-17-15(16(14)23-7-3-4-12(19)10-23)13(8-20-17)22-18(24)11-5-6-11;18-12-8-20-16-14(15(12)24-7-3-4-11(19)10-24)13(9-21-16)22-17(25)23-5-1-2-6-23;1-3-10(2)17(24)22-13-8-21-16-14(13)15(12(18)7-20-16)23-6-4-5-11(19)9-23/h10-11,13-14H,2-9,12H2,1H3,(H,22,23)(H,24,26);8-9,11-13H,3-7,10,20H2,1-2H3,(H,21,22)(H,23,25);8-9,11-13H,3-7,10,20H2,1-2H3,(H,21,22)(H,23,25);8-9,11-12H,2-7,10,19H2,1H3,(H,20,21)(H,22,24);8-9,11H,1-7,10,19H2,(H,20,21)(H,22,25);7-8,10-11H,3-6,9,19H2,1-2H3,(H,20,21)(H,22,24)/t3*13-;12-;11-;10-,11+/m011110/s1
InChIKeyLHCFNXFEYGHTNM-LOQBWNQDSA-N
MW2190.06 g/mol
LogP18.24
Rot. Bonds27

About N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolidine-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;(2S)-N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylbutanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[5-bromo-4-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide

N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolidine-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;(2S)-N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylbutanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[5-bromo-4-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide (PubChem CID 159349078) has the molecular formula C110H153BrClFN30O8S and a molecular weight of 2190.06 g/mol. Its IUPAC name is N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolidine-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;(2S)-N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylbutanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[5-bromo-4-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolidine-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;(2S)-N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylbutanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[5-bromo-4-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide
PubChem CID159349078
Molecular FormulaC110H153BrClFN30O8S
Molecular Weight2190.06 g/mol
Exact Mass2187.11
IUPAC NameN-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolidine-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;(2S)-N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylbutanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[5-bromo-4-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide
SMILESCC(C)Sc1cnc2[nH]cc(NC(=O)C3CC3)c2c1N1CCC[C@@H](N)C1.CC(C)c1cnc2[nH]cc(NC(=O)C3CC3)c2c1N1CCC[C@@H](N)C1.CCOc1cnc2[nH]cc(NC(=O)C3CC3)c2c1N1CCC[C@@H](N)C1.CC[C@H](C)C(=O)Nc1c[nH]c2ncc(F)c(N3CCC[C@@H](N)C3)c12.COCCC[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)C4CC4)c23)C1.N[C@@H]1CCCN(c2c(Cl)cnc3[nH]cc(NC(=O)N4CCCC4)c23)C1
InChIInChI=1S/C20H27BrN4O2.C19H27N5OS.C19H27N5O.C18H25N5O2.C17H23ClN6O.C17H24FN5O/c1-27-9-3-5-13-4-2-8-25(12-13)18-15(21)10-22-19-17(18)16(11-23-19)24-20(26)14-6-7-14;1-11(2)26-15-9-22-18-16(17(15)24-7-3-4-13(20)10-24)14(8-21-18)23-19(25)12-5-6-12;1-11(2)14-8-21-18-16(17(14)24-7-3-4-13(20)10-24)15(9-22-18)23-19(25)12-5-6-12;1-2-25-14-9-21-17-15(16(14)23-7-3-4-12(19)10-23)13(8-20-17)22-18(24)11-5-6-11;18-12-8-20-16-14(15(12)24-7-3-4-11(19)10-24)13(9-21-16)22-17(25)23-5-1-2-6-23;1-3-10(2)17(24)22-13-8-21-16-14(13)15(12(18)7-20-16)23-6-4-5-11(19)9-23/h10-11,13-14H,2-9,12H2,1H3,(H,22,23)(H,24,26);8-9,11-13H,3-7,10,20H2,1-2H3,(H,21,22)(H,23,25);8-9,11-13H,3-7,10,20H2,1-2H3,(H,21,22)(H,23,25);8-9,11-12H,2-7,10,19H2,1H3,(H,20,21)(H,22,24);8-9,11H,1-7,10,19H2,(H,20,21)(H,22,25);7-8,10-11H,3-6,9,19H2,1-2H3,(H,20,21)(H,22,24)/t3*13-;12-;11-;10-,11+/m011110/s1
InChIKeyLHCFNXFEYGHTNM-LOQBWNQDSA-N
XLogP18.24
TPSA517.92 Ų
H-Bond Donors17
H-Bond Acceptors26
Rotatable Bonds27
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002190.06
LogP ≤ 518.24
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolidine-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;(2S)-N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylbutanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[5-bromo-4-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolidine-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[5-bromo-4-[(3S)-3-(3-fluoropropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[5-bromo-4-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide
CID 157924667
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[5-chloro-4-[(3R)-3-ethylpiperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide
CID 158895674
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]azetidine-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylcyclopropane-1-carboxamide;(1S)-N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylcyclopropane-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide
CID 159676096

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolidine-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;(2S)-N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylbutanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[5-bromo-4-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolidine-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;(2S)-N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylbutanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[5-bromo-4-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide (CID 159349078) is N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolidine-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;(2S)-N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylbutanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[5-bromo-4-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolidine-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;(2S)-N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylbutanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[5-bromo-4-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolidine-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;(2S)-N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylbutanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[5-bromo-4-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide is CC(C)Sc1cnc2[nH]cc(NC(=O)C3CC3)c2c1N1CCC[C@@H](N)C1.CC(C)c1cnc2[nH]cc(NC(=O)C3CC3)c2c1N1CCC[C@@H](N)C1.CCOc1cnc2[nH]cc(NC(=O)C3CC3)c2c1N1CCC[C@@H](N)C1.CC[C@H](C)C(=O)Nc1c[nH]c2ncc(F)c(N3CCC[C@@H](N)C3)c12.COCCC[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)C4CC4)c23)C1.N[C@@H]1CCCN(c2c(Cl)cnc3[nH]cc(NC(=O)N4CCCC4)c23)C1.
What is the InChIKey of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolidine-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;(2S)-N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylbutanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[5-bromo-4-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is LHCFNXFEYGHTNM-LOQBWNQDSA-N. The full InChI is InChI=1S/C20H27BrN4O2.C19H27N5OS.C19H27N5O.C18H25N5O2.C17H23ClN6O.C17H24FN5O/c1-27-9-3-5-13-4-2-8-25(12-13)18-15(21)10-22-19-17(18)16(11-23-19)24-20(26)14-6-7-14;1-11(2)26-15-9-22-18-16(17(15)24-7-3-4-13(20)10-24)14(8-21-18)23-19(25)12-5-6-12;1-11(2)14-8-21-18-16(17(14)24-7-3-4-13(20)10-24)15(9-22-18)23-19(25)12-5-6-12;1-2-25-14-9-21-17-15(16(14)23-7-3-4-12(19)10-23)13(8-20-17)22-18(24)11-5-6-11;18-12-8-20-16-14(15(12)24-7-3-4-11(19)10-24)13(9-21-16)22-17(25)23-5-1-2-6-23;1-3-10(2)17(24)22-13-8-21-16-14(13)15(12(18)7-20-16)23-6-4-5-11(19)9-23/h10-11,13-14H,2-9,12H2,1H3,(H,22,23)(H,24,26);8-9,11-13H,3-7,10,20H2,1-2H3,(H,21,22)(H,23,25);8-9,11-13H,3-7,10,20H2,1-2H3,(H,21,22)(H,23,25);8-9,11-12H,2-7,10,19H2,1H3,(H,20,21)(H,22,24);8-9,11H,1-7,10,19H2,(H,20,21)(H,22,25);7-8,10-11H,3-6,9,19H2,1-2H3,(H,20,21)(H,22,24)/t3*13-;12-;11-;10-,11+/m011110/s1.
What are the key properties of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolidine-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;(2S)-N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylbutanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[5-bromo-4-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide?
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolidine-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;(2S)-N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylbutanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[5-bromo-4-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 2190.06 g/mol, XLogP of 18.24, 27 rotatable bonds, 17 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolidine-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;(2S)-N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylbutanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[5-bromo-4-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 159349078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).