N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-4-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazole-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethyl)benzamide;N-[5-bromo-4-[(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-chloro-4-fluorobenzamide

C96H101Br5ClF5N28O7 — CID 161365378

IUPACN-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-4-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazole-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethyl)benzamide;N-[5-bromo-4-[(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-chloro-4-fluorobenzamide
SMILESCOc1ccc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCC[C@@H](N)C4)c23)cc1F.Cc1cnc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCC[C@@H](N)C4)c23)cn1.N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccc(C(F)(F)F)c4)c23)C1.N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cn[nH]c4)c23)C1.O=C(Nc1c[nH]c2ncc(Br)c(N3CCC[C@@H](CCCO)C3)c12)c1ccc(F)c(Cl)c1
InChIInChI=1S/C22H23BrClFN4O2.C20H19BrF3N5O.C20H21BrFN5O2.C18H20BrN7O.C16H18BrN7O/c23-15-10-26-21-19(20(15)29-7-1-3-13(12-29)4-2-8-30)18(11-27-21)28-22(31)14-5-6-17(25)16(24)9-14;21-14-8-26-18-16(17(14)29-6-2-5-13(25)10-29)15(9-27-18)28-19(30)11-3-1-4-12(7-11)20(22,23)24;1-29-16-5-4-11(7-14(16)22)20(28)26-15-9-25-19-17(15)18(13(21)8-24-19)27-6-2-3-12(23)10-27;1-10-5-22-14(8-21-10)18(27)25-13-7-24-17-15(13)16(12(19)6-23-17)26-4-2-3-11(20)9-26;17-11-6-19-15-13(14(11)24-3-1-2-10(18)8-24)12(7-20-15)23-16(25)9-4-21-22-5-9/h5-6,9-11,13,30H,1-4,7-8,12H2,(H,26,27)(H,28,31);1,3-4,7-9,13H,2,5-6,10,25H2,(H,26,27)(H,28,30);4-5,7-9,12H,2-3,6,10,23H2,1H3,(H,24,25)(H,26,28);5-8,11H,2-4,9,20H2,1H3,(H,23,24)(H,25,27);4-7,10H,1-3,8,18H2,(H,19,20)(H,21,22)(H,23,25)/t2*13-;12-;11-;10-/m01111/s1
InChIKeyVPSXZPKPEIQZEE-QCPLLNSLSA-N
MW2289.02 g/mol
LogP18.37
Rot. Bonds19

About N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-4-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazole-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethyl)benzamide;N-[5-bromo-4-[(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-chloro-4-fluorobenzamide

N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-4-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazole-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethyl)benzamide;N-[5-bromo-4-[(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-chloro-4-fluorobenzamide (PubChem CID 161365378) has the molecular formula C96H101Br5ClF5N28O7 and a molecular weight of 2289.02 g/mol. Its IUPAC name is N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-4-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazole-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethyl)benzamide;N-[5-bromo-4-[(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-4-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazole-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethyl)benzamide;N-[5-bromo-4-[(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-chloro-4-fluorobenzamide
PubChem CID161365378
Molecular FormulaC96H101Br5ClF5N28O7
Molecular Weight2289.02 g/mol
Exact Mass2282.39
IUPAC NameN-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-4-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazole-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethyl)benzamide;N-[5-bromo-4-[(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-chloro-4-fluorobenzamide
SMILESCOc1ccc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCC[C@@H](N)C4)c23)cc1F.Cc1cnc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCC[C@@H](N)C4)c23)cn1.N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccc(C(F)(F)F)c4)c23)C1.N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cn[nH]c4)c23)C1.O=C(Nc1c[nH]c2ncc(Br)c(N3CCC[C@@H](CCCO)C3)c12)c1ccc(F)c(Cl)c1
InChIInChI=1S/C22H23BrClFN4O2.C20H19BrF3N5O.C20H21BrFN5O2.C18H20BrN7O.C16H18BrN7O/c23-15-10-26-21-19(20(15)29-7-1-3-13(12-29)4-2-8-30)18(11-27-21)28-22(31)14-5-6-17(25)16(24)9-14;21-14-8-26-18-16(17(14)29-6-2-5-13(25)10-29)15(9-27-18)28-19(30)11-3-1-4-12(7-11)20(22,23)24;1-29-16-5-4-11(7-14(16)22)20(28)26-15-9-25-19-17(15)18(13(21)8-24-19)27-6-2-3-12(23)10-27;1-10-5-22-14(8-21-10)18(27)25-13-7-24-17-15(13)16(12(19)6-23-17)26-4-2-3-11(20)9-26;17-11-6-19-15-13(14(11)24-3-1-2-10(18)8-24)12(7-20-15)23-16(25)9-4-21-22-5-9/h5-6,9-11,13,30H,1-4,7-8,12H2,(H,26,27)(H,28,31);1,3-4,7-9,13H,2,5-6,10,25H2,(H,26,27)(H,28,30);4-5,7-9,12H,2-3,6,10,23H2,1H3,(H,24,25)(H,26,28);5-8,11H,2-4,9,20H2,1H3,(H,23,24)(H,25,27);4-7,10H,1-3,8,18H2,(H,19,20)(H,21,22)(H,23,25)/t2*13-;12-;11-;10-/m01111/s1
InChIKeyVPSXZPKPEIQZEE-QCPLLNSLSA-N
XLogP18.37
TPSA493.10 Ų
H-Bond Donors16
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002289.02
LogP ≤ 518.37
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1024

Analyze N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-4-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazole-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethyl)benzamide;N-[5-bromo-4-[(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-chloro-4-fluorobenzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-chloropyridine;3,5-dimethyl-1H-pyrazole;2-ethyl-1H-imidazole;2-fluoropyridine;1H-indazole;1H-indole;2-methoxypyridine;2-methoxypyrimidine;N-methylbenzamide;bis(1-methylpyrazole);5-methyl-1H-pyrazole;3-methylpyridine;1H-pyrazole;pyridin-2-amine;pyridine;1H-pyridin-2-one;N-pyridin-2-ylacetamide;1H-pyrrole;5-(trifluoromethyl)-1H-pyrazole
CID 157289352
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-chloro-4-fluorobenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-chloro-4-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazole-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 160272141
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-chloro-4-fluorobenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-4-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-1,3-oxazole-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazole-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 160652073
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-fluorobenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methylbenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylcyclopropane-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylpyridine-3-carboxamide;N-[4-(3-aminopyridin-1-ium-1-yl)-5-bromo-3a,4,5,6,7,7a-hexahydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-chloropyridine-2-carboxamide
CID 158121726

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]-3-fluoro-4-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazole-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethyl)benzamide;N-[5-bromo-4-[(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-chloro-4-fluorobenzamide?
The IUPAC name of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-4-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazole-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethyl)benzamide;N-[5-bromo-4-[(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-chloro-4-fluorobenzamide (CID 161365378) is N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-4-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazole-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethyl)benzamide;N-[5-bromo-4-[(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-chloro-4-fluorobenzamide.
What is the SMILES notation for N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-4-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazole-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethyl)benzamide;N-[5-bromo-4-[(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-chloro-4-fluorobenzamide?
The canonical SMILES for N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-4-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazole-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethyl)benzamide;N-[5-bromo-4-[(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-chloro-4-fluorobenzamide is COc1ccc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCC[C@@H](N)C4)c23)cc1F.Cc1cnc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCC[C@@H](N)C4)c23)cn1.N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccc(C(F)(F)F)c4)c23)C1.N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cn[nH]c4)c23)C1.O=C(Nc1c[nH]c2ncc(Br)c(N3CCC[C@@H](CCCO)C3)c12)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-4-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazole-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethyl)benzamide;N-[5-bromo-4-[(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-chloro-4-fluorobenzamide?
The InChIKey is VPSXZPKPEIQZEE-QCPLLNSLSA-N. The full InChI is InChI=1S/C22H23BrClFN4O2.C20H19BrF3N5O.C20H21BrFN5O2.C18H20BrN7O.C16H18BrN7O/c23-15-10-26-21-19(20(15)29-7-1-3-13(12-29)4-2-8-30)18(11-27-21)28-22(31)14-5-6-17(25)16(24)9-14;21-14-8-26-18-16(17(14)29-6-2-5-13(25)10-29)15(9-27-18)28-19(30)11-3-1-4-12(7-11)20(22,23)24;1-29-16-5-4-11(7-14(16)22)20(28)26-15-9-25-19-17(15)18(13(21)8-24-19)27-6-2-3-12(23)10-27;1-10-5-22-14(8-21-10)18(27)25-13-7-24-17-15(13)16(12(19)6-23-17)26-4-2-3-11(20)9-26;17-11-6-19-15-13(14(11)24-3-1-2-10(18)8-24)12(7-20-15)23-16(25)9-4-21-22-5-9/h5-6,9-11,13,30H,1-4,7-8,12H2,(H,26,27)(H,28,31);1,3-4,7-9,13H,2,5-6,10,25H2,(H,26,27)(H,28,30);4-5,7-9,12H,2-3,6,10,23H2,1H3,(H,24,25)(H,26,28);5-8,11H,2-4,9,20H2,1H3,(H,23,24)(H,25,27);4-7,10H,1-3,8,18H2,(H,19,20)(H,21,22)(H,23,25)/t2*13-;12-;11-;10-/m01111/s1.
What are the key properties of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-4-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazole-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethyl)benzamide;N-[5-bromo-4-[(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-chloro-4-fluorobenzamide?
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-4-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazole-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethyl)benzamide;N-[5-bromo-4-[(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-chloro-4-fluorobenzamide has a molecular weight of 2289.02 g/mol, XLogP of 18.37, 19 rotatable bonds, 16 hydrogen bond donors, and 24 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]-3-fluoro-4-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazole-4-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethyl)benzamide;N-[5-bromo-4-[(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-chloro-4-fluorobenzamide is sourced from PubChem (CID 161365378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).