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

C111H140Br3ClFN33O8 — CID 159676096

About 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

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 (PubChem CID 159676096) has the molecular formula C111H140Br3ClFN33O8 and a molecular weight of 2358.73 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159676096
• Molecular Formula: C111H140Br3ClFN33O8
• Molecular Weight: 2358.73 g/mol
• Exact Mass: 2353.88
• IUPAC Name: 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
• SMILES: CC1(C)CC1C(=O)Nc1c[nH]c2ncc(Br)c(N3CCC[C@@H](N)C3)c12.COCCOc1cnc2[nH]cc(NC(=O)C3CC3)c2c1N1CCC[C@@H](N)C1.Cc1cnc(C(=O)Nc2c[nH]c3ncc(F)c(N4CCC[C@@H](N)C4)c23)cn1.N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)N4CCC4)c23)C1.N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)[C@H]4CC4c4ccccc4)c23)C1.N[C@@H]1CCCN(c2c(Cl)cnc3[nH]cc(NC(=O)C4CCCC4)c23)C1
• InChI: InChI=1S/C22H24BrN5O.C19H27N5O3.C18H24BrN5O.C18H24ClN5O.C18H20FN7O.C16H21BrN6O/c23-17-10-25-21-19(20(17)28-8-4-7-14(24)12-28)18(11-26-21)27-22(29)16-9-15(16)13-5-2-1-3-6-13;1-26-7-8-27-15-10-22-18-16(17(15)24-6-2-3-13(20)11-24)14(9-21-18)23-19(25)12-4-5-12;1-18(2)6-11(18)17(25)23-13-8-22-16-14(13)15(12(19)7-21-16)24-5-3-4-10(20)9-24;19-13-8-21-17-15(16(13)24-7-3-6-12(20)10-24)14(9-22-17)23-18(25)11-4-1-2-5-11;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;17-11-7-19-15-13(14(11)23-4-1-3-10(18)9-23)12(8-20-15)21-16(24)22-5-2-6-22/h1-3,5-6,10-11,14-16H,4,7-9,12,24H2,(H,25,26)(H,27,29);9-10,12-13H,2-8,11,20H2,1H3,(H,21,22)(H,23,25);7-8,10-11H,3-6,9,20H2,1-2H3,(H,21,22)(H,23,25);8-9,11-12H,1-7,10,20H2,(H,21,22)(H,23,25);5-8,11H,2-4,9,20H2,1H3,(H,23,24)(H,25,27);7-8,10H,1-6,9,18H2,(H,19,20)(H,21,24)/t14-,15?,16+;13-;10-,11?;12-;11-;10-/m111111/s1
• InChIKey: MUPPMDQZXPXZLJ-CHMOFBIWSA-N
• XLogP: 16.84
• TPSA: 569.72 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2358.73
LogP ≤ 5	16.84
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

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]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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC1(C)CC1C(=O)Nc1c[nH]c2ncc(Br)c(N3CCC[C@@H](N)C3)c12.COCCOc1cnc2[nH]cc(NC(=O)C3CC3)c2c1N1CCC[C@@H](N)C1.Cc1cnc(C(=O)Nc2c[nH]c3ncc(F)c(N4CCC[C@@H](N)C4)c23)cn1.N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)N4CCC4)c23)C1.N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)[C@H]4CC4c4ccccc4)c23)C1.N[C@@H]1CCCN(c2c(Cl)cnc3[nH]cc(NC(=O)C4CCCC4)c23)C1.

What is the InChIKey of 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?

The InChIKey is MUPPMDQZXPXZLJ-CHMOFBIWSA-N. The full InChI is InChI=1S/C22H24BrN5O.C19H27N5O3.C18H24BrN5O.C18H24ClN5O.C18H20FN7O.C16H21BrN6O/c23-17-10-25-21-19(20(17)28-8-4-7-14(24)12-28)18(11-26-21)27-22(29)16-9-15(16)13-5-2-1-3-6-13;1-26-7-8-27-15-10-22-18-16(17(15)24-6-2-3-13(20)11-24)14(9-21-18)23-19(25)12-4-5-12;1-18(2)6-11(18)17(25)23-13-8-22-16-14(13)15(12(19)7-21-16)24-5-3-4-10(20)9-24;19-13-8-21-17-15(16(13)24-7-3-6-12(20)10-24)14(9-22-17)23-18(25)11-4-1-2-5-11;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;17-11-7-19-15-13(14(11)23-4-1-3-10(18)9-23)12(8-20-15)21-16(24)22-5-2-6-22/h1-3,5-6,10-11,14-16H,4,7-9,12,24H2,(H,25,26)(H,27,29);9-10,12-13H,2-8,11,20H2,1H3,(H,21,22)(H,23,25);7-8,10-11H,3-6,9,20H2,1-2H3,(H,21,22)(H,23,25);8-9,11-12H,1-7,10,20H2,(H,21,22)(H,23,25);5-8,11H,2-4,9,20H2,1H3,(H,23,24)(H,25,27);7-8,10H,1-6,9,18H2,(H,19,20)(H,21,24)/t14-,15?,16+;13-;10-,11?;12-;11-;10-/m111111/s1.

What are the key properties of 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?

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 has a molecular weight of 2358.73 g/mol, XLogP of 16.84, 22 rotatable bonds, 18 hydrogen bond donors, and 28 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]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 is sourced from PubChem (CID 159676096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).