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

C125H162Cl2N36O8S2 — CID 158895674

IUPACN-[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
SMILESCC(C)Sc1cnc2[nH]cc(NC(=O)C3CC3)c2c1N1CCC[C@@H](N)C1.CCOc1cnc2[nH]cc(NC(=O)C3CC3)c2c1N1CCC[C@@H](N)C1.CC[C@@H]1CCCN(c2c(Cl)cnc3[nH]cc(NC(=O)C4CC4)c23)C1.CCc1cnc2[nH]cc(NC(=O)C3CC3)c2c1N1CCC[C@@H](N)C1.CSc1cnc2[nH]cc(NC(=O)C3CC3)c2c1N1CCC[C@@H](N)C1.N#Cc1cnc2[nH]cc(NC(=O)c3cccnc3)c2c1N1CCC[C@@H](N)C1.N[C@@H]1CCCN(c2c(Cl)cnc3[nH]cc(NC(=O)C4CC4)c23)C1
InChIInChI=1S/C19H19N7O.C19H27N5OS.C18H23ClN4O.C18H25N5O2.C18H25N5O.C17H23N5OS.C16H20ClN5O/c20-7-13-9-23-18-16(17(13)26-6-2-4-14(21)11-26)15(10-24-18)25-19(27)12-3-1-5-22-8-12;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;1-2-11-4-3-7-23(10-11)16-13(19)8-20-17-15(16)14(9-21-17)22-18(24)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;1-2-11-8-20-17-15(16(11)23-7-3-4-13(19)10-23)14(9-21-17)22-18(24)12-5-6-12;1-24-13-8-20-16-14(15(13)22-6-2-3-11(18)9-22)12(7-19-16)21-17(23)10-4-5-10;17-11-6-19-15-13(14(11)22-5-1-2-10(18)8-22)12(7-20-15)21-16(23)9-3-4-9/h1,3,5,8-10,14H,2,4,6,11,21H2,(H,23,24)(H,25,27);8-9,11-13H,3-7,10,20H2,1-2H3,(H,21,22)(H,23,25);8-9,11-12H,2-7,10H2,1H3,(H,20,21)(H,22,24);8-9,11-12H,2-7,10,19H2,1H3,(H,20,21)(H,22,24);8-9,12-13H,2-7,10,19H2,1H3,(H,20,21)(H,22,24);7-8,10-11H,2-6,9,18H2,1H3,(H,19,20)(H,21,23);6-7,9-10H,1-5,8,18H2,(H,19,20)(H,21,23)/t14-;13-;11-;12-;13-;11-;10-/m1111111/s1
InChIKeyJEUKLTBHQJOOLZ-GQZGYAFUSA-N
MW2431.95 g/mol
LogP19.23
Rot. Bonds28

About 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

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 (PubChem CID 158895674) has the molecular formula C125H162Cl2N36O8S2 and a molecular weight of 2431.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID158895674
Molecular FormulaC125H162Cl2N36O8S2
Molecular Weight2431.95 g/mol
Exact Mass2429.22
IUPAC NameN-[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
SMILESCC(C)Sc1cnc2[nH]cc(NC(=O)C3CC3)c2c1N1CCC[C@@H](N)C1.CCOc1cnc2[nH]cc(NC(=O)C3CC3)c2c1N1CCC[C@@H](N)C1.CC[C@@H]1CCCN(c2c(Cl)cnc3[nH]cc(NC(=O)C4CC4)c23)C1.CCc1cnc2[nH]cc(NC(=O)C3CC3)c2c1N1CCC[C@@H](N)C1.CSc1cnc2[nH]cc(NC(=O)C3CC3)c2c1N1CCC[C@@H](N)C1.N#Cc1cnc2[nH]cc(NC(=O)c3cccnc3)c2c1N1CCC[C@@H](N)C1.N[C@@H]1CCCN(c2c(Cl)cnc3[nH]cc(NC(=O)C4CC4)c23)C1
InChIInChI=1S/C19H19N7O.C19H27N5OS.C18H23ClN4O.C18H25N5O2.C18H25N5O.C17H23N5OS.C16H20ClN5O/c20-7-13-9-23-18-16(17(13)26-6-2-4-14(21)11-26)15(10-24-18)25-19(27)12-3-1-5-22-8-12;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;1-2-11-4-3-7-23(10-11)16-13(19)8-20-17-15(16)14(9-21-17)22-18(24)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;1-2-11-8-20-17-15(16(11)23-7-3-4-13(19)10-23)14(9-21-17)22-18(24)12-5-6-12;1-24-13-8-20-16-14(15(13)22-6-2-3-11(18)9-22)12(7-19-16)21-17(23)10-4-5-10;17-11-6-19-15-13(14(11)22-5-1-2-10(18)8-22)12(7-20-15)21-16(23)9-3-4-9/h1,3,5,8-10,14H,2,4,6,11,21H2,(H,23,24)(H,25,27);8-9,11-13H,3-7,10,20H2,1-2H3,(H,21,22)(H,23,25);8-9,11-12H,2-7,10H2,1H3,(H,20,21)(H,22,24);8-9,11-12H,2-7,10,19H2,1H3,(H,20,21)(H,22,24);8-9,12-13H,2-7,10,19H2,1H3,(H,20,21)(H,22,24);7-8,10-11H,2-6,9,18H2,1H3,(H,19,20)(H,21,23);6-7,9-10H,1-5,8,18H2,(H,19,20)(H,21,23)/t14-;13-;11-;12-;13-;11-;10-/m1111111/s1
InChIKeyJEUKLTBHQJOOLZ-GQZGYAFUSA-N
XLogP19.23
TPSA629.17 Ų
H-Bond Donors20
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002431.95
LogP ≤ 519.23
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1032

Analyze 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 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;(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
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-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 162116073

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]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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)Sc1cnc2[nH]cc(NC(=O)C3CC3)c2c1N1CCC[C@@H](N)C1.CCOc1cnc2[nH]cc(NC(=O)C3CC3)c2c1N1CCC[C@@H](N)C1.CC[C@@H]1CCCN(c2c(Cl)cnc3[nH]cc(NC(=O)C4CC4)c23)C1.CCc1cnc2[nH]cc(NC(=O)C3CC3)c2c1N1CCC[C@@H](N)C1.CSc1cnc2[nH]cc(NC(=O)C3CC3)c2c1N1CCC[C@@H](N)C1.N#Cc1cnc2[nH]cc(NC(=O)c3cccnc3)c2c1N1CCC[C@@H](N)C1.N[C@@H]1CCCN(c2c(Cl)cnc3[nH]cc(NC(=O)C4CC4)c23)C1.
What is the InChIKey of 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?
The InChIKey is JEUKLTBHQJOOLZ-GQZGYAFUSA-N. The full InChI is InChI=1S/C19H19N7O.C19H27N5OS.C18H23ClN4O.C18H25N5O2.C18H25N5O.C17H23N5OS.C16H20ClN5O/c20-7-13-9-23-18-16(17(13)26-6-2-4-14(21)11-26)15(10-24-18)25-19(27)12-3-1-5-22-8-12;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;1-2-11-4-3-7-23(10-11)16-13(19)8-20-17-15(16)14(9-21-17)22-18(24)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;1-2-11-8-20-17-15(16(11)23-7-3-4-13(19)10-23)14(9-21-17)22-18(24)12-5-6-12;1-24-13-8-20-16-14(15(13)22-6-2-3-11(18)9-22)12(7-19-16)21-17(23)10-4-5-10;17-11-6-19-15-13(14(11)22-5-1-2-10(18)8-22)12(7-20-15)21-16(23)9-3-4-9/h1,3,5,8-10,14H,2,4,6,11,21H2,(H,23,24)(H,25,27);8-9,11-13H,3-7,10,20H2,1-2H3,(H,21,22)(H,23,25);8-9,11-12H,2-7,10H2,1H3,(H,20,21)(H,22,24);8-9,11-12H,2-7,10,19H2,1H3,(H,20,21)(H,22,24);8-9,12-13H,2-7,10,19H2,1H3,(H,20,21)(H,22,24);7-8,10-11H,2-6,9,18H2,1H3,(H,19,20)(H,21,23);6-7,9-10H,1-5,8,18H2,(H,19,20)(H,21,23)/t14-;13-;11-;12-;13-;11-;10-/m1111111/s1.
What are the key properties of 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?
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 has a molecular weight of 2431.95 g/mol, XLogP of 19.23, 28 rotatable bonds, 20 hydrogen bond donors, and 32 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]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 is sourced from PubChem (CID 158895674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).