4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-3,5-dimethyl-1,2-oxazole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-prop-1-en-2-ylpyridin-2-amine;N-[5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-2-pyridinyl]acetamide;2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

C88H103N15O2 — CID 159992696

About 4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-3,5-dimethyl-1,2-oxazole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-prop-1-en-2-ylpyridin-2-amine;N-[5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-2-pyridinyl]acetamide;2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-3,5-dimethyl-1,2-oxazole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-prop-1-en-2-ylpyridin-2-amine;N-[5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-2-pyridinyl]acetamide;2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 159992696) has the molecular formula C88H103N15O2 and a molecular weight of 1402.89 g/mol. Its IUPAC name is 4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-3,5-dimethyl-1,2-oxazole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-prop-1-en-2-ylpyridin-2-amine;N-[5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-2-pyridinyl]acetamide;2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-3,5-dimethyl-1,2-oxazole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-prop-1-en-2-ylpyridin-2-amine;N-[5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-2-pyridinyl]acetamide;2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 159992696
• Molecular Formula: C88H103N15O2
• Molecular Weight: 1402.89 g/mol
• Exact Mass: 1401.84
• IUPAC Name: 4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-3,5-dimethyl-1,2-oxazole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-prop-1-en-2-ylpyridin-2-amine;N-[5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-2-pyridinyl]acetamide;2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
• SMILES: C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1c(C)noc1C.C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1cnn(C)c1.C=C(C)Nc1ccc(/C(C)=C\n2c3c(c4cc(C)ccc42)CN(C)CC3)cn1.CC(=O)Nc1ccc(/C(C)=C/n2c3c(c4cc(C)ccc42)CN(C)CC3)cn1
• InChI: InChI=1S/C24H28N4.C23H26N4O.C21H25N3O.C20H24N4/c1-16(2)26-24-9-7-19(13-25-24)18(4)14-28-22-8-6-17(3)12-20(22)21-15-27(5)11-10-23(21)28;1-15-5-7-21-19(11-15)20-14-26(4)10-9-22(20)27(21)13-16(2)18-6-8-23(24-12-18)25-17(3)28;1-13-6-7-19-17(10-13)18-12-23(5)9-8-20(18)24(19)11-14(2)21-15(3)22-25-16(21)4;1-14-5-6-19-17(9-14)18-13-22(3)8-7-20(18)24(19)11-15(2)16-10-21-23(4)12-16/h6-9,12-14H,1,10-11,15H2,2-5H3,(H,25,26);5-8,11-13H,9-10,14H2,1-4H3,(H,24,25,28);6-7,10-11H,8-9,12H2,1-5H3;5-6,9-12H,7-8,13H2,1-4H3/b18-14-;16-13+;14-11+;15-11+
• InChIKey: OHDNOXZTBXDQMK-NTOMIMCDSA-N
• XLogP: 17.85
• TPSA: 143.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1402.89
LogP ≤ 5	17.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-3,5-dimethyl-1,2-oxazole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-prop-1-en-2-ylpyridin-2-amine;N-[5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-2-pyridinyl]acetamide;2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The IUPAC name of 4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-3,5-dimethyl-1,2-oxazole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-prop-1-en-2-ylpyridin-2-amine;N-[5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-2-pyridinyl]acetamide;2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 159992696) is 4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-3,5-dimethyl-1,2-oxazole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-prop-1-en-2-ylpyridin-2-amine;N-[5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-2-pyridinyl]acetamide;2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

What is the SMILES notation for 4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-3,5-dimethyl-1,2-oxazole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-prop-1-en-2-ylpyridin-2-amine;N-[5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-2-pyridinyl]acetamide;2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The canonical SMILES for 4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-3,5-dimethyl-1,2-oxazole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-prop-1-en-2-ylpyridin-2-amine;N-[5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-2-pyridinyl]acetamide;2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1c(C)noc1C.C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1cnn(C)c1.C=C(C)Nc1ccc(/C(C)=C\n2c3c(c4cc(C)ccc42)CN(C)CC3)cn1.CC(=O)Nc1ccc(/C(C)=C/n2c3c(c4cc(C)ccc42)CN(C)CC3)cn1.

What is the InChIKey of 4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-3,5-dimethyl-1,2-oxazole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-prop-1-en-2-ylpyridin-2-amine;N-[5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-2-pyridinyl]acetamide;2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The InChIKey is OHDNOXZTBXDQMK-NTOMIMCDSA-N. The full InChI is InChI=1S/C24H28N4.C23H26N4O.C21H25N3O.C20H24N4/c1-16(2)26-24-9-7-19(13-25-24)18(4)14-28-22-8-6-17(3)12-20(22)21-15-27(5)11-10-23(21)28;1-15-5-7-21-19(11-15)20-14-26(4)10-9-22(20)27(21)13-16(2)18-6-8-23(24-12-18)25-17(3)28;1-13-6-7-19-17(10-13)18-12-23(5)9-8-20(18)24(19)11-14(2)21-15(3)22-25-16(21)4;1-14-5-6-19-17(9-14)18-13-22(3)8-7-20(18)24(19)11-15(2)16-10-21-23(4)12-16/h6-9,12-14H,1,10-11,15H2,2-5H3,(H,25,26);5-8,11-13H,9-10,14H2,1-4H3,(H,24,25,28);6-7,10-11H,8-9,12H2,1-5H3;5-6,9-12H,7-8,13H2,1-4H3/b18-14-;16-13+;14-11+;15-11+.

What are the key properties of 4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-3,5-dimethyl-1,2-oxazole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-prop-1-en-2-ylpyridin-2-amine;N-[5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-2-pyridinyl]acetamide;2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-3,5-dimethyl-1,2-oxazole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-prop-1-en-2-ylpyridin-2-amine;N-[5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-2-pyridinyl]acetamide;2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 1402.89 g/mol, XLogP of 17.85, 11 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-3,5-dimethyl-1,2-oxazole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-prop-1-en-2-ylpyridin-2-amine;N-[5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-2-pyridinyl]acetamide;2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 159992696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).