2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

C118H114F5N15 — CID 162244226

About 2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 162244226) has the molecular formula C118H114F5N15 and a molecular weight of 1837.30 g/mol. Its IUPAC name is 2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 162244226
• Molecular Formula: C118H114F5N15
• Molecular Weight: 1837.30 g/mol
• Exact Mass: 1835.93
• IUPAC Name: 2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
• SMILES: CN1CCc2c(c3cc(F)ccc3n2/C=C/c2ccccc2)C1.CN1CCc2c(c3cc(F)ccc3n2/C=C/c2ccccn2)C1.CN1CCc2c(c3cc(F)ccc3n2/C=C/c2ccncc2)C1.CN1CCc2c(c3cc(F)ccc3n2/C=C\c2ccccc2)C1.CN1CCc2c(c3cc(F)ccc3n2/C=C\c2cccnc2)C1.Cc1ccc2c(c1)c1c(n2/C=C\c2ccccc2)CCN(C)C1
• InChI: InChI=1S/C21H22N2.2C20H19FN2.3C19H18FN3/c1-16-8-9-20-18(14-16)19-15-22(2)12-11-21(19)23(20)13-10-17-6-4-3-5-7-17;2*1-22-11-10-20-18(14-22)17-13-16(21)7-8-19(17)23(20)12-9-15-5-3-2-4-6-15;1-22-10-7-19-17(13-22)16-12-15(20)2-3-18(16)23(19)11-6-14-4-8-21-9-5-14;1-22-9-7-19-17(13-22)16-11-15(20)4-5-18(16)23(19)10-6-14-3-2-8-21-12-14;1-22-10-8-19-17(13-22)16-12-14(20)5-6-18(16)23(19)11-7-15-4-2-3-9-21-15/h3-10,13-14H,11-12,15H2,1-2H3;2*2-9,12-13H,10-11,14H2,1H3;2-6,8-9,11-12H,7,10,13H2,1H3;2-6,8,10-12H,7,9,13H2,1H3;2-7,9,11-12H,8,10,13H2,1H3/b13-10-;12-9+;12-9-;11-6+;10-6-;11-7+
• InChIKey: ZXCOTFVQKBSXMS-SDUSLSQLSA-N
• XLogP: 24.73
• TPSA: 87.69 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1837.30
LogP ≤ 5	24.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The IUPAC name of 2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 162244226) is 2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

What is the SMILES notation for 2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The canonical SMILES for 2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is CN1CCc2c(c3cc(F)ccc3n2/C=C/c2ccccc2)C1.CN1CCc2c(c3cc(F)ccc3n2/C=C/c2ccccn2)C1.CN1CCc2c(c3cc(F)ccc3n2/C=C/c2ccncc2)C1.CN1CCc2c(c3cc(F)ccc3n2/C=C\c2ccccc2)C1.CN1CCc2c(c3cc(F)ccc3n2/C=C\c2cccnc2)C1.Cc1ccc2c(c1)c1c(n2/C=C\c2ccccc2)CCN(C)C1.

What is the InChIKey of 2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The InChIKey is ZXCOTFVQKBSXMS-SDUSLSQLSA-N. The full InChI is InChI=1S/C21H22N2.2C20H19FN2.3C19H18FN3/c1-16-8-9-20-18(14-16)19-15-22(2)12-11-21(19)23(20)13-10-17-6-4-3-5-7-17;2*1-22-11-10-20-18(14-22)17-13-16(21)7-8-19(17)23(20)12-9-15-5-3-2-4-6-15;1-22-10-7-19-17(13-22)16-12-15(20)2-3-18(16)23(19)11-6-14-4-8-21-9-5-14;1-22-9-7-19-17(13-22)16-11-15(20)4-5-18(16)23(19)10-6-14-3-2-8-21-12-14;1-22-10-8-19-17(13-22)16-12-14(20)5-6-18(16)23(19)11-7-15-4-2-3-9-21-15/h3-10,13-14H,11-12,15H2,1-2H3;2*2-9,12-13H,10-11,14H2,1H3;2-6,8-9,11-12H,7,10,13H2,1H3;2-6,8,10-12H,7,9,13H2,1H3;2-7,9,11-12H,8,10,13H2,1H3/b13-10-;12-9+;12-9-;11-6+;10-6-;11-7+.

What are the key properties of 2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 1837.30 g/mol, XLogP of 24.73, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 162244226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).