[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(2-isocyanopyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile

C119H115N29O6 — CID 167662919

About [1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(2-isocyanopyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile

[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(2-isocyanopyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile (PubChem CID 167662919) has the molecular formula C119H115N29O6 and a molecular weight of 2047.43 g/mol. Its IUPAC name is [1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(2-isocyanopyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile.

Molecular Properties

• Compound Name: [1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(2-isocyanopyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile
• PubChem CID: 167662919
• Molecular Formula: C119H115N29O6
• Molecular Weight: 2047.43 g/mol
• Exact Mass: 2045.96
• IUPAC Name: [1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(2-isocyanopyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile
• SMILES: CC1CCN(C(=O)c2cnc3c(ccn3-c3ccc(C#N)cc3)c2)CC1.CC1CCN(C(=O)c2cnc3c(ccn3-c3cccc(C#N)c3)c2)CC1.CN(C)c1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cn1.O=C(c1cnc2c(ccn2-c2ccc3[nH]ncc3c2)c1)N1CCCCC1.[C-]#[N+]c1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cn1.[C-]#[N+]c1ncc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cn1
• InChI: InChI=1S/2C21H20N4O.C20H19N5O.C20H23N5O.C19H17N5O.C18H16N6O/c1-15-6-9-24(10-7-15)21(26)18-12-17-8-11-25(20(17)23-14-18)19-4-2-16(13-22)3-5-19;1-15-5-8-24(9-6-15)21(26)18-12-17-7-10-25(20(17)23-14-18)19-4-2-3-16(11-19)13-22;26-20(24-7-2-1-3-8-24)16-10-14-6-9-25(19(14)21-12-16)17-4-5-18-15(11-17)13-22-23-18;1-23(2)18-7-6-17(14-21-18)25-11-8-15-12-16(13-22-19(15)25)20(26)24-9-4-3-5-10-24;1-20-17-6-5-16(13-21-17)24-10-7-14-11-15(12-22-18(14)24)19(25)23-8-3-2-4-9-23;1-19-18-21-11-15(12-22-18)24-8-5-13-9-14(10-20-16(13)24)17(25)23-6-3-2-4-7-23/h2-5,8,11-12,14-15H,6-7,9-10H2,1H3;2-4,7,10-12,14-15H,5-6,8-9H2,1H3;4-6,9-13H,1-3,7-8H2,(H,22,23);6-8,11-14H,3-5,9-10H2,1-2H3;5-7,10-13H,2-4,8-9H2;5,8-12H,2-4,6-7H2
• InChIKey: SEYZOGMZVYFBBZ-UHFFFAOYSA-N
• XLogP: 20.77
• TPSA: 368.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 13
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2047.43
LogP ≤ 5	20.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(2-isocyanopyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile?

The IUPAC name of [1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(2-isocyanopyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile (CID 167662919) is [1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(2-isocyanopyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile.

What is the SMILES notation for [1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(2-isocyanopyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile?

The canonical SMILES for [1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(2-isocyanopyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile is CC1CCN(C(=O)c2cnc3c(ccn3-c3ccc(C#N)cc3)c2)CC1.CC1CCN(C(=O)c2cnc3c(ccn3-c3cccc(C#N)c3)c2)CC1.CN(C)c1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cn1.O=C(c1cnc2c(ccn2-c2ccc3[nH]ncc3c2)c1)N1CCCCC1.[C-]#[N+]c1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cn1.[C-]#[N+]c1ncc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cn1.

What is the InChIKey of [1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(2-isocyanopyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile?

The InChIKey is SEYZOGMZVYFBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H20N4O.C20H19N5O.C20H23N5O.C19H17N5O.C18H16N6O/c1-15-6-9-24(10-7-15)21(26)18-12-17-8-11-25(20(17)23-14-18)19-4-2-16(13-22)3-5-19;1-15-5-8-24(9-6-15)21(26)18-12-17-7-10-25(20(17)23-14-18)19-4-2-3-16(11-19)13-22;26-20(24-7-2-1-3-8-24)16-10-14-6-9-25(19(14)21-12-16)17-4-5-18-15(11-17)13-22-23-18;1-23(2)18-7-6-17(14-21-18)25-11-8-15-12-16(13-22-19(15)25)20(26)24-9-4-3-5-10-24;1-20-17-6-5-16(13-21-17)24-10-7-14-11-15(12-22-18(14)24)19(25)23-8-3-2-4-9-23;1-19-18-21-11-15(12-22-18)24-8-5-13-9-14(10-20-16(13)24)17(25)23-6-3-2-4-7-23/h2-5,8,11-12,14-15H,6-7,9-10H2,1H3;2-4,7,10-12,14-15H,5-6,8-9H2,1H3;4-6,9-13H,1-3,7-8H2,(H,22,23);6-8,11-14H,3-5,9-10H2,1-2H3;5-7,10-13H,2-4,8-9H2;5,8-12H,2-4,6-7H2.

What are the key properties of [1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(2-isocyanopyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile?

[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(2-isocyanopyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile has a molecular weight of 2047.43 g/mol, XLogP of 20.77, 13 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(2-isocyanopyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile is sourced from PubChem (CID 167662919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).