N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylpyrazole-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]quinoxaline-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxamide

C93H97Br3F6N34O6 — CID 162071579

IUPACN-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylpyrazole-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]quinoxaline-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxamide
SMILESCn1ccc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCC[C@@H](N)C4)c23)n1.Cn1nc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCC[C@@H](N)C4)c23)ccc1=O.N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cnc5ccccc5n4)c23)C1.N[C@@H]1CCCN(c2c(C(F)(F)F)cnc3[nH]cc(NC(=O)c4ccccn4)c23)C1.N[C@@H]1CCCN(c2c(C(F)(F)F)cnc3[nH]cc(NC(=O)c4cnccn4)c23)C1
InChIInChI=1S/C21H20BrN7O.C19H19F3N6O.C18H20BrN7O2.C18H18F3N7O.C17H20BrN7O/c22-13-8-25-20-18(19(13)29-7-3-4-12(23)11-29)16(9-26-20)28-21(30)17-10-24-14-5-1-2-6-15(14)27-17;20-19(21,22)12-8-25-17-15(16(12)28-7-3-4-11(23)10-28)14(9-26-17)27-18(29)13-5-1-2-6-24-13;1-25-14(27)5-4-12(24-25)18(28)23-13-8-22-17-15(13)16(11(19)7-21-17)26-6-2-3-10(20)9-26;19-18(20,21)11-6-25-16-14(15(11)28-5-1-2-10(22)9-28)12(8-26-16)27-17(29)13-7-23-3-4-24-13;1-24-6-4-12(23-24)17(26)22-13-8-21-16-14(13)15(11(18)7-20-16)25-5-2-3-10(19)9-25/h1-2,5-6,8-10,12H,3-4,7,11,23H2,(H,25,26)(H,28,30);1-2,5-6,8-9,11H,3-4,7,10,23H2,(H,25,26)(H,27,29);4-5,7-8,10H,2-3,6,9,20H2,1H3,(H,21,22)(H,23,28);3-4,6-8,10H,1-2,5,9,22H2,(H,25,26)(H,27,29);4,6-8,10H,2-3,5,9,19H2,1H3,(H,20,21)(H,22,26)/t12-;11-;3*10-/m11111/s1
InChIKeyZBDSAQAKMPBQOO-IOHAZWSZSA-N
MW2140.73 g/mol
LogP12.99
Rot. Bonds15

About N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylpyrazole-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]quinoxaline-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxamide

N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylpyrazole-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]quinoxaline-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxamide (PubChem CID 162071579) has the molecular formula C93H97Br3F6N34O6 and a molecular weight of 2140.73 g/mol. Its IUPAC name is N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylpyrazole-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]quinoxaline-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylpyrazole-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]quinoxaline-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxamide
PubChem CID162071579
Molecular FormulaC93H97Br3F6N34O6
Molecular Weight2140.73 g/mol
Exact Mass2136.58
IUPAC NameN-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylpyrazole-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]quinoxaline-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxamide
SMILESCn1ccc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCC[C@@H](N)C4)c23)n1.Cn1nc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCC[C@@H](N)C4)c23)ccc1=O.N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cnc5ccccc5n4)c23)C1.N[C@@H]1CCCN(c2c(C(F)(F)F)cnc3[nH]cc(NC(=O)c4ccccn4)c23)C1.N[C@@H]1CCCN(c2c(C(F)(F)F)cnc3[nH]cc(NC(=O)c4cnccn4)c23)C1
InChIInChI=1S/C21H20BrN7O.C19H19F3N6O.C18H20BrN7O2.C18H18F3N7O.C17H20BrN7O/c22-13-8-25-20-18(19(13)29-7-3-4-12(23)11-29)16(9-26-20)28-21(30)17-10-24-14-5-1-2-6-15(14)27-17;20-19(21,22)12-8-25-17-15(16(12)28-7-3-4-11(23)10-28)14(9-26-17)27-18(29)13-5-1-2-6-24-13;1-25-14(27)5-4-12(24-25)18(28)23-13-8-22-17-15(13)16(11(19)7-21-17)26-6-2-3-10(20)9-26;19-18(20,21)11-6-25-16-14(15(11)28-5-1-2-10(22)9-28)12(8-26-16)27-17(29)13-7-23-3-4-24-13;1-24-6-4-12(23-24)17(26)22-13-8-21-16-14(13)15(11(18)7-20-16)25-5-2-3-10(19)9-25/h1-2,5-6,8-10,12H,3-4,7,11,23H2,(H,25,26)(H,28,30);1-2,5-6,8-9,11H,3-4,7,10,23H2,(H,25,26)(H,27,29);4-5,7-8,10H,2-3,6,9,20H2,1H3,(H,21,22)(H,23,28);3-4,6-8,10H,1-2,5,9,22H2,(H,25,26)(H,27,29);4,6-8,10H,2-3,5,9,19H2,1H3,(H,20,21)(H,22,26)/t12-;11-;3*10-/m11111/s1
InChIKeyZBDSAQAKMPBQOO-IOHAZWSZSA-N
XLogP12.99
TPSA552.36 Ų
H-Bond Donors15
H-Bond Acceptors30
Rotatable Bonds15
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002140.73
LogP ≤ 512.99
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1030

Analyze N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylpyrazole-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]quinoxaline-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[4-[(3R)-3-aminopiperidin-1-yl]-6-carbamoyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-[(3R)-1-[3-[[1-[(4-fluorophenyl)methyl]pyrazole-4-carbonyl]amino]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-yl]carbamate
CID 117778364
4-[(3R)-3-aminopiperidin-1-yl]-3-[1-benzyl-4-[(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamoyl]pyrazol-3-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
CID 136622028
N-[5-[5-fluoro-8-[4-[2-[4-fluoro-1-methyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-2-pyridinyl]-2-methyl-4-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2-dihydro-1,7-naphthyridin-6-yl]-3-pyridinyl]benzamide
CID 145033903
1-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-phenylethanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-phenylmethanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-4-(1H-imidazole-2-carbonyl)-3-methylpiperazin-1-yl]methanone
CID 157328934
N-[4-(3-amino-3-methylpyrrolidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylpyrazole-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]quinoxaline-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide
CID 157393710
2-[4-[5-(tert-butylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;2-[4-[5-(ethylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(methylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[6-(methylcarbamoyl)pyridazin-3-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(methylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(methylcarbamoyl)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(propan-2-ylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;isocyanic acid
CID 157545322
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]oxolane-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]quinoxaline-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[5-bromo-4-[(3R)-3-(2-cyclopropylethyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[(3R)-3-(3-methylbutyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
CID 157756561
N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-bromophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-oxoheptanamide
CID 158068141
N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylimidazole-2-carboxamide;N-[2-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylimidazole-2-carboxamide;N-[2-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1,2,4-triazole-3-carboxamide;N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-2-carboxamide
CID 158079784
(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-N-(6-bromo-4-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-N-(6-bromo-4-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)indol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)pyrrolo[2,3-c]pyridin-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 158614332
imidazo[1,2-a]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-piperidin-1-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[2,3-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[3,2-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[2,3-c]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158614349
CID 159842791
CID 159842791

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylpyrazole-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]quinoxaline-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylpyrazole-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]quinoxaline-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxamide (CID 162071579) is N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylpyrazole-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]quinoxaline-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylpyrazole-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]quinoxaline-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylpyrazole-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]quinoxaline-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxamide is Cn1ccc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCC[C@@H](N)C4)c23)n1.Cn1nc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCC[C@@H](N)C4)c23)ccc1=O.N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cnc5ccccc5n4)c23)C1.N[C@@H]1CCCN(c2c(C(F)(F)F)cnc3[nH]cc(NC(=O)c4ccccn4)c23)C1.N[C@@H]1CCCN(c2c(C(F)(F)F)cnc3[nH]cc(NC(=O)c4cnccn4)c23)C1.
What is the InChIKey of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylpyrazole-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]quinoxaline-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxamide?
The InChIKey is ZBDSAQAKMPBQOO-IOHAZWSZSA-N. The full InChI is InChI=1S/C21H20BrN7O.C19H19F3N6O.C18H20BrN7O2.C18H18F3N7O.C17H20BrN7O/c22-13-8-25-20-18(19(13)29-7-3-4-12(23)11-29)16(9-26-20)28-21(30)17-10-24-14-5-1-2-6-15(14)27-17;20-19(21,22)12-8-25-17-15(16(12)28-7-3-4-11(23)10-28)14(9-26-17)27-18(29)13-5-1-2-6-24-13;1-25-14(27)5-4-12(24-25)18(28)23-13-8-22-17-15(13)16(11(19)7-21-17)26-6-2-3-10(20)9-26;19-18(20,21)11-6-25-16-14(15(11)28-5-1-2-10(22)9-28)12(8-26-16)27-17(29)13-7-23-3-4-24-13;1-24-6-4-12(23-24)17(26)22-13-8-21-16-14(13)15(11(18)7-20-16)25-5-2-3-10(19)9-25/h1-2,5-6,8-10,12H,3-4,7,11,23H2,(H,25,26)(H,28,30);1-2,5-6,8-9,11H,3-4,7,10,23H2,(H,25,26)(H,27,29);4-5,7-8,10H,2-3,6,9,20H2,1H3,(H,21,22)(H,23,28);3-4,6-8,10H,1-2,5,9,22H2,(H,25,26)(H,27,29);4,6-8,10H,2-3,5,9,19H2,1H3,(H,20,21)(H,22,26)/t12-;11-;3*10-/m11111/s1.
What are the key properties of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylpyrazole-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]quinoxaline-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxamide?
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylpyrazole-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]quinoxaline-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxamide has a molecular weight of 2140.73 g/mol, XLogP of 12.99, 15 rotatable bonds, 15 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylpyrazole-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]quinoxaline-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 162071579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).