5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylpyridine-2-carboxamide;[5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-2-pyridinyl]methanol;4,12-dimethyl-8-[(E)-2-pyridin-4-ylprop-1-enyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[(E)-2-[6-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C88H100N14O3 — CID 158768741

About 5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylpyridine-2-carboxamide;[5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-2-pyridinyl]methanol;4,12-dimethyl-8-[(E)-2-pyridin-4-ylprop-1-enyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[(E)-2-[6-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylpyridine-2-carboxamide;[5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-2-pyridinyl]methanol;4,12-dimethyl-8-[(E)-2-pyridin-4-ylprop-1-enyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[(E)-2-[6-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 158768741) has the molecular formula C88H100N14O3 and a molecular weight of 1401.86 g/mol. Its IUPAC name is 5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylpyridine-2-carboxamide;[5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-2-pyridinyl]methanol;4,12-dimethyl-8-[(E)-2-pyridin-4-ylprop-1-enyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[(E)-2-[6-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylpyridine-2-carboxamide;[5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-2-pyridinyl]methanol;4,12-dimethyl-8-[(E)-2-pyridin-4-ylprop-1-enyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[(E)-2-[6-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 158768741
• Molecular Formula: C88H100N14O3
• Molecular Weight: 1401.86 g/mol
• Exact Mass: 1400.81
• IUPAC Name: 5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylpyridine-2-carboxamide;[5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-2-pyridinyl]methanol;4,12-dimethyl-8-[(E)-2-pyridin-4-ylprop-1-enyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[(E)-2-[6-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
• SMILES: C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccc(CO)nc1.C/C(=C\n1c2c(c3cc(C)cnc31)CN(C)CC2)c1ccncc1.CNC(=O)c1ccc(/C(C)=C/n2c3c(c4cc(C)ccc42)CN(C)CC3)cn1.COCc1ccc(/C(C)=C/n2c3c(c4cc(C)ccc42)CN(C)CC3)cn1
• InChI: InChI=1S/C23H26N4O.C23H27N3O.C22H25N3O.C20H22N4/c1-15-5-8-21-18(11-15)19-14-26(4)10-9-22(19)27(21)13-16(2)17-6-7-20(25-12-17)23(28)24-3;1-16-5-8-22-20(11-16)21-14-25(3)10-9-23(21)26(22)13-17(2)18-6-7-19(15-27-4)24-12-18;1-15-4-7-21-19(10-15)20-13-24(3)9-8-22(20)25(21)12-16(2)17-5-6-18(14-26)23-11-17;1-14-10-17-18-13-23(3)9-6-19(18)24(20(17)22-11-14)12-15(2)16-4-7-21-8-5-16/h5-8,11-13H,9-10,14H2,1-4H3,(H,24,28);5-8,11-13H,9-10,14-15H2,1-4H3;4-7,10-12,26H,8-9,13-14H2,1-3H3;4-5,7-8,10-12H,6,9,13H2,1-3H3/b16-13+;17-13+;16-12+;15-12+
• InChIKey: IPPDFIVDEQULLE-DKWVNIKPSA-N
• XLogP: 15.80
• TPSA: 155.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1401.86
LogP ≤ 5	15.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylpyridine-2-carboxamide;[5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-2-pyridinyl]methanol;4,12-dimethyl-8-[(E)-2-pyridin-4-ylprop-1-enyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[(E)-2-[6-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

The IUPAC name of 5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylpyridine-2-carboxamide;[5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-2-pyridinyl]methanol;4,12-dimethyl-8-[(E)-2-pyridin-4-ylprop-1-enyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[(E)-2-[6-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 158768741) is 5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylpyridine-2-carboxamide;[5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-2-pyridinyl]methanol;4,12-dimethyl-8-[(E)-2-pyridin-4-ylprop-1-enyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[(E)-2-[6-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

What is the SMILES notation for 5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylpyridine-2-carboxamide;[5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-2-pyridinyl]methanol;4,12-dimethyl-8-[(E)-2-pyridin-4-ylprop-1-enyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[(E)-2-[6-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

The canonical SMILES for 5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylpyridine-2-carboxamide;[5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-2-pyridinyl]methanol;4,12-dimethyl-8-[(E)-2-pyridin-4-ylprop-1-enyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[(E)-2-[6-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccc(CO)nc1.C/C(=C\n1c2c(c3cc(C)cnc31)CN(C)CC2)c1ccncc1.CNC(=O)c1ccc(/C(C)=C/n2c3c(c4cc(C)ccc42)CN(C)CC3)cn1.COCc1ccc(/C(C)=C/n2c3c(c4cc(C)ccc42)CN(C)CC3)cn1.

What is the InChIKey of 5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylpyridine-2-carboxamide;[5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-2-pyridinyl]methanol;4,12-dimethyl-8-[(E)-2-pyridin-4-ylprop-1-enyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[(E)-2-[6-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

The InChIKey is IPPDFIVDEQULLE-DKWVNIKPSA-N. The full InChI is InChI=1S/C23H26N4O.C23H27N3O.C22H25N3O.C20H22N4/c1-15-5-8-21-18(11-15)19-14-26(4)10-9-22(19)27(21)13-16(2)17-6-7-20(25-12-17)23(28)24-3;1-16-5-8-22-20(11-16)21-14-25(3)10-9-23(21)26(22)13-17(2)18-6-7-19(15-27-4)24-12-18;1-15-4-7-21-19(10-15)20-13-24(3)9-8-22(20)25(21)12-16(2)17-5-6-18(14-26)23-11-17;1-14-10-17-18-13-23(3)9-6-19(18)24(20(17)22-11-14)12-15(2)16-4-7-21-8-5-16/h5-8,11-13H,9-10,14H2,1-4H3,(H,24,28);5-8,11-13H,9-10,14-15H2,1-4H3;4-7,10-12,26H,8-9,13-14H2,1-3H3;4-5,7-8,10-12H,6,9,13H2,1-3H3/b16-13+;17-13+;16-12+;15-12+.

What are the key properties of 5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylpyridine-2-carboxamide;[5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-2-pyridinyl]methanol;4,12-dimethyl-8-[(E)-2-pyridin-4-ylprop-1-enyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[(E)-2-[6-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylpyridine-2-carboxamide;[5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-2-pyridinyl]methanol;4,12-dimethyl-8-[(E)-2-pyridin-4-ylprop-1-enyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[(E)-2-[6-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 1401.86 g/mol, XLogP of 15.80, 12 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylpyridine-2-carboxamide;[5-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-2-pyridinyl]methanol;4,12-dimethyl-8-[(E)-2-pyridin-4-ylprop-1-enyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[(E)-2-[6-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 158768741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).