carbon dioxide;3-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,3-oxazol-5-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene

C81H95N13O7 — CID 159033533

About carbon dioxide;3-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,3-oxazol-5-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene

carbon dioxide;3-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,3-oxazol-5-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene (PubChem CID 159033533) has the molecular formula C81H95N13O7 and a molecular weight of 1362.73 g/mol. Its IUPAC name is carbon dioxide;3-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,3-oxazol-5-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene.

Molecular Properties

• Compound Name: carbon dioxide;3-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,3-oxazol-5-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene
• PubChem CID: 159033533
• Molecular Formula: C81H95N13O7
• Molecular Weight: 1362.73 g/mol
• Exact Mass: 1361.75
• IUPAC Name: carbon dioxide;3-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,3-oxazol-5-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene
• SMILES: Cc1ccc(CCn2c3c(c4cccnc42)CN(C)CC3)cn1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc[nH]c2=O)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cnco2)CCN(C)C1.O=C=O
• InChI: InChI=1S/C21H25N3O2.C21H25N3O.C19H22N4.C19H23N3O2.CO2/c1-14-6-7-18-15(11-14)16-12-23(3)10-8-19(16)24(18)13-21(2,26)17-5-4-9-22-20(17)25;1-15-6-7-19-17(11-15)18-13-23(3)10-8-20(18)24(19)14-21(2,25)16-5-4-9-22-12-16;1-14-5-6-15(12-21-14)7-11-23-18-8-10-22(2)13-17(18)16-4-3-9-20-19(16)23;1-13-4-5-16-14(8-13)15-10-21(3)7-6-17(15)22(16)11-19(2,23)18-9-20-12-24-18;2-1-3/h4-7,9,11,26H,8,10,12-13H2,1-3H3,(H,22,25);4-7,9,11-12,25H,8,10,13-14H2,1-3H3;3-6,9,12H,7-8,10-11,13H2,1-2H3;4-5,8-9,12,23H,6-7,10-11H2,1-3H3
• InChIKey: JVEHNLDMKIGOPC-UHFFFAOYSA-N
• XLogP: 10.99
• TPSA: 225.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1362.73
LogP ≤ 5	10.99
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;3-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,3-oxazol-5-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene?

The IUPAC name of carbon dioxide;3-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,3-oxazol-5-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene (CID 159033533) is carbon dioxide;3-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,3-oxazol-5-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene.

What is the SMILES notation for carbon dioxide;3-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,3-oxazol-5-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene?

The canonical SMILES for carbon dioxide;3-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,3-oxazol-5-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene is Cc1ccc(CCn2c3c(c4cccnc42)CN(C)CC3)cn1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc[nH]c2=O)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cnco2)CCN(C)C1.O=C=O.

What is the InChIKey of carbon dioxide;3-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,3-oxazol-5-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene?

The InChIKey is JVEHNLDMKIGOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2.C21H25N3O.C19H22N4.C19H23N3O2.CO2/c1-14-6-7-18-15(11-14)16-12-23(3)10-8-19(16)24(18)13-21(2,26)17-5-4-9-22-20(17)25;1-15-6-7-19-17(11-15)18-13-23(3)10-8-20(18)24(19)14-21(2,25)16-5-4-9-22-12-16;1-14-5-6-15(12-21-14)7-11-23-18-8-10-22(2)13-17(18)16-4-3-9-20-19(16)23;1-13-4-5-16-14(8-13)15-10-21(3)7-6-17(15)22(16)11-19(2,23)18-9-20-12-24-18;2-1-3/h4-7,9,11,26H,8,10,12-13H2,1-3H3,(H,22,25);4-7,9,11-12,25H,8,10,13-14H2,1-3H3;3-6,9,12H,7-8,10-11,13H2,1-2H3;4-5,8-9,12,23H,6-7,10-11H2,1-3H3;.

What are the key properties of carbon dioxide;3-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,3-oxazol-5-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene?

carbon dioxide;3-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,3-oxazol-5-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene has a molecular weight of 1362.73 g/mol, XLogP of 10.99, 12 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;3-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,3-oxazol-5-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene is sourced from PubChem (CID 159033533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).