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;2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(2-methylpyrazol-3-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

C85H101N15O — CID 159022937

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;2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(2-methylpyrazol-3-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;2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(2-methylpyrazol-3-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 159022937) has the molecular formula C85H101N15O and a molecular weight of 1348.85 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;2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(2-methylpyrazol-3-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;2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(2-methylpyrazol-3-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 159022937
• Molecular Formula: C85H101N15O
• Molecular Weight: 1348.85 g/mol
• Exact Mass: 1347.83
• 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;2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(2-methylpyrazol-3-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)c1ccnn1C.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
• InChI: InChI=1S/C24H28N4.C21H25N3O.2C20H24N4/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;1-13-6-7-19-17(10-13)18-12-23(5)9-8-20(18)24(19)11-14(2)21-15(3)22-25-16(21)4;1-14-5-6-19-16(11-14)17-13-22(3)10-8-20(17)24(19)12-15(2)18-7-9-21-23(18)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);6-7,10-11H,8-9,12H2,1-5H3;5-7,9,11-12H,8,10,13H2,1-4H3;5-6,9-12H,7-8,13H2,1-4H3/b18-14-;14-11+;15-12+;15-11+
• InChIKey: JTXRIYARVUBVMS-LGNSRBSISA-N
• XLogP: 17.23
• TPSA: 119.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1348.85
LogP ≤ 5	17.23
H-Bond Donors ≤ 5	1
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;2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(2-methylpyrazol-3-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;2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(2-methylpyrazol-3-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 159022937) 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;2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(2-methylpyrazol-3-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;2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(2-methylpyrazol-3-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;2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(2-methylpyrazol-3-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)c1ccnn1C.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.

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;2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(2-methylpyrazol-3-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The InChIKey is JTXRIYARVUBVMS-LGNSRBSISA-N. The full InChI is InChI=1S/C24H28N4.C21H25N3O.2C20H24N4/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;1-13-6-7-19-17(10-13)18-12-23(5)9-8-20(18)24(19)11-14(2)21-15(3)22-25-16(21)4;1-14-5-6-19-16(11-14)17-13-22(3)10-8-20(17)24(19)12-15(2)18-7-9-21-23(18)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);6-7,10-11H,8-9,12H2,1-5H3;5-7,9,11-12H,8,10,13H2,1-4H3;5-6,9-12H,7-8,13H2,1-4H3/b18-14-;14-11+;15-12+;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;2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(2-methylpyrazol-3-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;2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(2-methylpyrazol-3-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 1348.85 g/mol, XLogP of 17.23, 10 rotatable bonds, 1 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;2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(2-methylpyrazol-3-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 159022937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).