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

C92H100N12O — CID 157446990

About 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-naphthalen-1-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-phenylcyclopenten-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(1H-pyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

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-naphthalen-1-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-phenylcyclopenten-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(1H-pyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 157446990) has the molecular formula C92H100N12O and a molecular weight of 1389.89 g/mol. Its IUPAC name is 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-naphthalen-1-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-phenylcyclopenten-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(1H-pyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 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-naphthalen-1-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-phenylcyclopenten-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(1H-pyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 157446990
• Molecular Formula: C92H100N12O
• Molecular Weight: 1389.89 g/mol
• Exact Mass: 1388.81
• IUPAC Name: 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-naphthalen-1-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-phenylcyclopenten-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(1H-pyrazol-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)c1cccc2ccccc12.C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1cn[nH]c1.CC(=O)Nc1ccc(/C(C)=C/n2c3c(c4cc(C)ccc42)CN(C)CC3)cn1.Cc1ccc2c(c1)c1c(n2C2=C(c3ccccc3)CCC2)CCN(C)C1
• InChI: InChI=1S/C26H26N2.C24H26N2.C23H26N4O.C19H22N4/c1-18-11-12-25-23(15-18)24-17-27(3)14-13-26(24)28(25)16-19(2)21-10-6-8-20-7-4-5-9-22(20)21;1-17-11-12-23-20(15-17)21-16-25(2)14-13-24(21)26(23)22-10-6-9-19(22)18-7-4-3-5-8-18;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;1-13-4-5-18-16(8-13)17-12-22(3)7-6-19(17)23(18)11-14(2)15-9-20-21-10-15/h4-12,15-16H,13-14,17H2,1-3H3;3-5,7-8,11-12,15H,6,9-10,13-14,16H2,1-2H3;5-8,11-13H,9-10,14H2,1-4H3,(H,24,25,28);4-5,8-11H,6-7,12H2,1-3H3,(H,20,21)/b19-16+;;16-13+;14-11+
• InChIKey: BSINKLZZZKICAG-JQPFCACTSA-N
• XLogP: 19.59
• TPSA: 103.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1389.89
LogP ≤ 5	19.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 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-naphthalen-1-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-phenylcyclopenten-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(1H-pyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The IUPAC name of 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-naphthalen-1-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-phenylcyclopenten-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(1H-pyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 157446990) is 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-naphthalen-1-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-phenylcyclopenten-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(1H-pyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

What is the SMILES notation for 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-naphthalen-1-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-phenylcyclopenten-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(1H-pyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The canonical SMILES for 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-naphthalen-1-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-phenylcyclopenten-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(1H-pyrazol-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)c1cccc2ccccc12.C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1cn[nH]c1.CC(=O)Nc1ccc(/C(C)=C/n2c3c(c4cc(C)ccc42)CN(C)CC3)cn1.Cc1ccc2c(c1)c1c(n2C2=C(c3ccccc3)CCC2)CCN(C)C1.

What is the InChIKey of 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-naphthalen-1-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-phenylcyclopenten-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(1H-pyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The InChIKey is BSINKLZZZKICAG-JQPFCACTSA-N. The full InChI is InChI=1S/C26H26N2.C24H26N2.C23H26N4O.C19H22N4/c1-18-11-12-25-23(15-18)24-17-27(3)14-13-26(24)28(25)16-19(2)21-10-6-8-20-7-4-5-9-22(20)21;1-17-11-12-23-20(15-17)21-16-25(2)14-13-24(21)26(23)22-10-6-9-19(22)18-7-4-3-5-8-18;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;1-13-4-5-18-16(8-13)17-12-22(3)7-6-19(17)23(18)11-14(2)15-9-20-21-10-15/h4-12,15-16H,13-14,17H2,1-3H3;3-5,7-8,11-12,15H,6,9-10,13-14,16H2,1-2H3;5-8,11-13H,9-10,14H2,1-4H3,(H,24,25,28);4-5,8-11H,6-7,12H2,1-3H3,(H,20,21)/b19-16+;;16-13+;14-11+.

What are the key properties of 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-naphthalen-1-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-phenylcyclopenten-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(1H-pyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

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-naphthalen-1-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-phenylcyclopenten-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(1H-pyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 1389.89 g/mol, XLogP of 19.59, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 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-naphthalen-1-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-phenylcyclopenten-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(1H-pyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 157446990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).