N-[(6-but-3-ynoyl-6-azaspiro[2.5]octan-2-yl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;ethyl N-[2-[2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]cyclopropyl]ethyl]-N-ethylcarbamate;N-[[7-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[7-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

C109H143N19O12 — CID 158400972

About N-[(6-but-3-ynoyl-6-azaspiro[2.5]octan-2-yl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;ethyl N-[2-[2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]cyclopropyl]ethyl]-N-ethylcarbamate;N-[[7-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[7-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

N-[(6-but-3-ynoyl-6-azaspiro[2.5]octan-2-yl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;ethyl N-[2-[2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]cyclopropyl]ethyl]-N-ethylcarbamate;N-[[7-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[7-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 158400972) has the molecular formula C109H143N19O12 and a molecular weight of 1911.46 g/mol. Its IUPAC name is N-[(6-but-3-ynoyl-6-azaspiro[2.5]octan-2-yl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;ethyl N-[2-[2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]cyclopropyl]ethyl]-N-ethylcarbamate;N-[[7-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[7-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(6-but-3-ynoyl-6-azaspiro[2.5]octan-2-yl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;ethyl N-[2-[2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]cyclopropyl]ethyl]-N-ethylcarbamate;N-[[7-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[7-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
• PubChem CID: 158400972
• Molecular Formula: C109H143N19O12
• Molecular Weight: 1911.46 g/mol
• Exact Mass: 1910.12
• IUPAC Name: N-[(6-but-3-ynoyl-6-azaspiro[2.5]octan-2-yl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;ethyl N-[2-[2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]cyclopropyl]ethyl]-N-ethylcarbamate;N-[[7-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[7-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
• SMILES: C#CCC(=O)N1CCC2(CC1)CC2CNC(=O)N1Cc2ccncc2C1.C=C(OC(C)(C)C)N1CCC2(CC1)CC(CNC(=O)c1cc3ccncc3o1)C2.C=C(OC(C)(C)C)N1CCC2(CC1)CC(CNC(=O)c1cc3cnccc3[nH]1)C2.CCOC(=O)N(CC)CCC1CC1CNC(=O)N1Cc2ccncc2C1.O=C(Cc1ccccc1)N1CCC2(CC1)CC2CNC(=O)N1Cc2ccncc2C1
• InChI: InChI=1S/C24H28N4O2.C23H32N4O2.C23H31N3O3.C20H24N4O2.C19H28N4O3/c29-22(12-18-4-2-1-3-5-18)27-10-7-24(8-11-27)13-21(24)15-26-23(30)28-16-19-6-9-25-14-20(19)17-28;1-16(29-22(2,3)4)27-9-6-23(7-10-27)12-17(13-23)14-25-21(28)20-11-18-15-24-8-5-19(18)26-20;1-16(29-22(2,3)4)26-9-6-23(7-10-26)12-17(13-23)14-25-21(27)19-11-18-5-8-24-15-20(18)28-19;1-2-3-18(25)23-8-5-20(6-9-23)10-17(20)12-22-19(26)24-13-15-4-7-21-11-16(15)14-24;1-3-22(19(25)26-4-2)8-6-14-9-16(14)11-21-18(24)23-12-15-5-7-20-10-17(15)13-23/h1-6,9,14,21H,7-8,10-13,15-17H2,(H,26,30);5,8,11,15,17,26H,1,6-7,9-10,12-14H2,2-4H3,(H,25,28);5,8,11,15,17H,1,6-7,9-10,12-14H2,2-4H3,(H,25,27);1,4,7,11,17H,3,5-6,8-10,12-14H2,(H,22,26);5,7,10,14,16H,3-4,6,8-9,11-13H2,1-2H3,(H,21,24)
• InChIKey: GYCCNFMIODTYRE-UHFFFAOYSA-N
• XLogP: 15.76
• TPSA: 343.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 24
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1911.46
LogP ≤ 5	15.76
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(6-but-3-ynoyl-6-azaspiro[2.5]octan-2-yl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;ethyl N-[2-[2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]cyclopropyl]ethyl]-N-ethylcarbamate;N-[[7-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[7-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?

The IUPAC name of N-[(6-but-3-ynoyl-6-azaspiro[2.5]octan-2-yl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;ethyl N-[2-[2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]cyclopropyl]ethyl]-N-ethylcarbamate;N-[[7-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[7-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 158400972) is N-[(6-but-3-ynoyl-6-azaspiro[2.5]octan-2-yl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;ethyl N-[2-[2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]cyclopropyl]ethyl]-N-ethylcarbamate;N-[[7-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[7-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[(6-but-3-ynoyl-6-azaspiro[2.5]octan-2-yl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;ethyl N-[2-[2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]cyclopropyl]ethyl]-N-ethylcarbamate;N-[[7-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[7-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?

The canonical SMILES for N-[(6-but-3-ynoyl-6-azaspiro[2.5]octan-2-yl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;ethyl N-[2-[2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]cyclopropyl]ethyl]-N-ethylcarbamate;N-[[7-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[7-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is C#CCC(=O)N1CCC2(CC1)CC2CNC(=O)N1Cc2ccncc2C1.C=C(OC(C)(C)C)N1CCC2(CC1)CC(CNC(=O)c1cc3ccncc3o1)C2.C=C(OC(C)(C)C)N1CCC2(CC1)CC(CNC(=O)c1cc3cnccc3[nH]1)C2.CCOC(=O)N(CC)CCC1CC1CNC(=O)N1Cc2ccncc2C1.O=C(Cc1ccccc1)N1CCC2(CC1)CC2CNC(=O)N1Cc2ccncc2C1.

What is the InChIKey of N-[(6-but-3-ynoyl-6-azaspiro[2.5]octan-2-yl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;ethyl N-[2-[2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]cyclopropyl]ethyl]-N-ethylcarbamate;N-[[7-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[7-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?

The InChIKey is GYCCNFMIODTYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2.C23H32N4O2.C23H31N3O3.C20H24N4O2.C19H28N4O3/c29-22(12-18-4-2-1-3-5-18)27-10-7-24(8-11-27)13-21(24)15-26-23(30)28-16-19-6-9-25-14-20(19)17-28;1-16(29-22(2,3)4)27-9-6-23(7-10-27)12-17(13-23)14-25-21(28)20-11-18-15-24-8-5-19(18)26-20;1-16(29-22(2,3)4)26-9-6-23(7-10-26)12-17(13-23)14-25-21(27)19-11-18-5-8-24-15-20(18)28-19;1-2-3-18(25)23-8-5-20(6-9-23)10-17(20)12-22-19(26)24-13-15-4-7-21-11-16(15)14-24;1-3-22(19(25)26-4-2)8-6-14-9-16(14)11-21-18(24)23-12-15-5-7-20-10-17(15)13-23/h1-6,9,14,21H,7-8,10-13,15-17H2,(H,26,30);5,8,11,15,17,26H,1,6-7,9-10,12-14H2,2-4H3,(H,25,28);5,8,11,15,17H,1,6-7,9-10,12-14H2,2-4H3,(H,25,27);1,4,7,11,17H,3,5-6,8-10,12-14H2,(H,22,26);5,7,10,14,16H,3-4,6,8-9,11-13H2,1-2H3,(H,21,24).

What are the key properties of N-[(6-but-3-ynoyl-6-azaspiro[2.5]octan-2-yl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;ethyl N-[2-[2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]cyclopropyl]ethyl]-N-ethylcarbamate;N-[[7-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[7-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?

N-[(6-but-3-ynoyl-6-azaspiro[2.5]octan-2-yl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;ethyl N-[2-[2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]cyclopropyl]ethyl]-N-ethylcarbamate;N-[[7-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[7-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 1911.46 g/mol, XLogP of 15.76, 24 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-but-3-ynoyl-6-azaspiro[2.5]octan-2-yl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;ethyl N-[2-[2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]cyclopropyl]ethyl]-N-ethylcarbamate;N-[[7-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[7-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 158400972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).