5-bromopyridine-2-carbonitrile;5-bromopyridine-3-carbonitrile;cyclopropanecarboximidamide;[1-[5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;[1-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbonitrile;(4,4-difluoropiperidin-1-yl)-[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4,4-difluoropiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone

C113H99Br2F10N33O5 — CID 167614529

About 5-bromopyridine-2-carbonitrile;5-bromopyridine-3-carbonitrile;cyclopropanecarboximidamide;[1-[5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;[1-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbonitrile;(4,4-difluoropiperidin-1-yl)-[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4,4-difluoropiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone

5-bromopyridine-2-carbonitrile;5-bromopyridine-3-carbonitrile;cyclopropanecarboximidamide;[1-[5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;[1-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbonitrile;(4,4-difluoropiperidin-1-yl)-[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4,4-difluoropiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone (PubChem CID 167614529) has the molecular formula C113H99Br2F10N33O5 and a molecular weight of 2349.05 g/mol. Its IUPAC name is 5-bromopyridine-2-carbonitrile;5-bromopyridine-3-carbonitrile;cyclopropanecarboximidamide;[1-[5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;[1-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbonitrile;(4,4-difluoropiperidin-1-yl)-[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4,4-difluoropiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone.

Molecular Properties

• Compound Name: 5-bromopyridine-2-carbonitrile;5-bromopyridine-3-carbonitrile;cyclopropanecarboximidamide;[1-[5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;[1-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbonitrile;(4,4-difluoropiperidin-1-yl)-[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4,4-difluoropiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone
• PubChem CID: 167614529
• Molecular Formula: C113H99Br2F10N33O5
• Molecular Weight: 2349.05 g/mol
• Exact Mass: 2345.67
• IUPAC Name: 5-bromopyridine-2-carbonitrile;5-bromopyridine-3-carbonitrile;cyclopropanecarboximidamide;[1-[5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;[1-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbonitrile;(4,4-difluoropiperidin-1-yl)-[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4,4-difluoropiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone
• SMILES: N#Cc1ccc(Br)cn1.N#Cc1cncc(-n2ccc3cc(C(=O)N4CCC(F)(F)CC4)cnc32)c1.N#Cc1cncc(Br)c1.O=C(c1cnc2[nH]ccc2c1)N1CCC(F)(F)CC1.O=C(c1cnc2c(ccn2-c2ccc(-c3n[nH]c(C4CC4)n3)nc2)c1)N1CCC(F)(F)CC1.O=C(c1cnc2c(ccn2-c2cncc(-c3n[nH]c(C4CC4)n3)c2)c1)N1CCC(F)(F)CC1.[C-]#[N+]c1ccc(-n2ccc3cc(C(=O)N4CCC(F)(F)CC4)cnc32)cn1.[H]/N=C(\N)C1CC1
• InChI: InChI=1S/2C23H21F2N7O.2C19H15F2N5O.C13H13F2N3O.2C6H3BrN2.C4H8N2/c24-23(25)4-7-31(8-5-23)22(33)17-9-15-3-6-32(21(15)27-12-17)18-10-16(11-26-13-18)20-28-19(29-30-20)14-1-2-14;24-23(25)6-9-31(10-7-23)22(33)16-11-15-5-8-32(21(15)27-12-16)17-3-4-18(26-13-17)20-28-19(29-30-20)14-1-2-14;20-19(21)2-5-25(6-3-19)18(27)15-8-14-1-4-26(17(14)24-11-15)16-7-13(9-22)10-23-12-16;1-22-16-3-2-15(12-23-16)26-7-4-13-10-14(11-24-17(13)26)18(27)25-8-5-19(20,21)6-9-25;14-13(15)2-5-18(6-3-13)12(19)10-7-9-1-4-16-11(9)17-8-10;7-6-1-5(2-8)3-9-4-6;7-5-1-2-6(3-8)9-4-5;5-4(6)3-1-2-3/h3,6,9-14H,1-2,4-5,7-8H2,(H,28,29,30);3-5,8,11-14H,1-2,6-7,9-10H2,(H,28,29,30);1,4,7-8,10-12H,2-3,5-6H2;2-4,7,10-12H,5-6,8-9H2;1,4,7-8H,2-3,5-6H2,(H,16,17);1,3-4H;1-2,4H;3H,1-2H2,(H3,5,6)
• InChIKey: LNYSNAZTAZSGAX-UHFFFAOYSA-N
• XLogP: 21.11
• TPSA: 487.59 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 14
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2349.05
LogP ≤ 5	21.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromopyridine-2-carbonitrile;5-bromopyridine-3-carbonitrile;cyclopropanecarboximidamide;[1-[5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;[1-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbonitrile;(4,4-difluoropiperidin-1-yl)-[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4,4-difluoropiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone?

The IUPAC name of 5-bromopyridine-2-carbonitrile;5-bromopyridine-3-carbonitrile;cyclopropanecarboximidamide;[1-[5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;[1-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbonitrile;(4,4-difluoropiperidin-1-yl)-[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4,4-difluoropiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone (CID 167614529) is 5-bromopyridine-2-carbonitrile;5-bromopyridine-3-carbonitrile;cyclopropanecarboximidamide;[1-[5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;[1-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbonitrile;(4,4-difluoropiperidin-1-yl)-[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4,4-difluoropiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone.

What is the SMILES notation for 5-bromopyridine-2-carbonitrile;5-bromopyridine-3-carbonitrile;cyclopropanecarboximidamide;[1-[5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;[1-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbonitrile;(4,4-difluoropiperidin-1-yl)-[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4,4-difluoropiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone?

The canonical SMILES for 5-bromopyridine-2-carbonitrile;5-bromopyridine-3-carbonitrile;cyclopropanecarboximidamide;[1-[5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;[1-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbonitrile;(4,4-difluoropiperidin-1-yl)-[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4,4-difluoropiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone is N#Cc1ccc(Br)cn1.N#Cc1cncc(-n2ccc3cc(C(=O)N4CCC(F)(F)CC4)cnc32)c1.N#Cc1cncc(Br)c1.O=C(c1cnc2[nH]ccc2c1)N1CCC(F)(F)CC1.O=C(c1cnc2c(ccn2-c2ccc(-c3n[nH]c(C4CC4)n3)nc2)c1)N1CCC(F)(F)CC1.O=C(c1cnc2c(ccn2-c2cncc(-c3n[nH]c(C4CC4)n3)c2)c1)N1CCC(F)(F)CC1.[C-]#[N+]c1ccc(-n2ccc3cc(C(=O)N4CCC(F)(F)CC4)cnc32)cn1.[H]/N=C(\N)C1CC1.

What is the InChIKey of 5-bromopyridine-2-carbonitrile;5-bromopyridine-3-carbonitrile;cyclopropanecarboximidamide;[1-[5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;[1-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbonitrile;(4,4-difluoropiperidin-1-yl)-[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4,4-difluoropiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone?

The InChIKey is LNYSNAZTAZSGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H21F2N7O.2C19H15F2N5O.C13H13F2N3O.2C6H3BrN2.C4H8N2/c24-23(25)4-7-31(8-5-23)22(33)17-9-15-3-6-32(21(15)27-12-17)18-10-16(11-26-13-18)20-28-19(29-30-20)14-1-2-14;24-23(25)6-9-31(10-7-23)22(33)16-11-15-5-8-32(21(15)27-12-16)17-3-4-18(26-13-17)20-28-19(29-30-20)14-1-2-14;20-19(21)2-5-25(6-3-19)18(27)15-8-14-1-4-26(17(14)24-11-15)16-7-13(9-22)10-23-12-16;1-22-16-3-2-15(12-23-16)26-7-4-13-10-14(11-24-17(13)26)18(27)25-8-5-19(20,21)6-9-25;14-13(15)2-5-18(6-3-13)12(19)10-7-9-1-4-16-11(9)17-8-10;7-6-1-5(2-8)3-9-4-6;7-5-1-2-6(3-8)9-4-5;5-4(6)3-1-2-3/h3,6,9-14H,1-2,4-5,7-8H2,(H,28,29,30);3-5,8,11-14H,1-2,6-7,9-10H2,(H,28,29,30);1,4,7-8,10-12H,2-3,5-6H2;2-4,7,10-12H,5-6,8-9H2;1,4,7-8H,2-3,5-6H2,(H,16,17);1,3-4H;1-2,4H;3H,1-2H2,(H3,5,6).

What are the key properties of 5-bromopyridine-2-carbonitrile;5-bromopyridine-3-carbonitrile;cyclopropanecarboximidamide;[1-[5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;[1-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbonitrile;(4,4-difluoropiperidin-1-yl)-[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4,4-difluoropiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone?

5-bromopyridine-2-carbonitrile;5-bromopyridine-3-carbonitrile;cyclopropanecarboximidamide;[1-[5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;[1-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbonitrile;(4,4-difluoropiperidin-1-yl)-[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4,4-difluoropiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone has a molecular weight of 2349.05 g/mol, XLogP of 21.11, 14 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromopyridine-2-carbonitrile;5-bromopyridine-3-carbonitrile;cyclopropanecarboximidamide;[1-[5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;[1-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbonitrile;(4,4-difluoropiperidin-1-yl)-[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4,4-difluoropiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone is sourced from PubChem (CID 167614529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).