8-chloro-2-methyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridin-2-amine;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylbutan-2-ol;2,7-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-(1-imidazol-1-ylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C100H114ClN17O — CID 158570633

About 8-chloro-2-methyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridin-2-amine;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylbutan-2-ol;2,7-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-(1-imidazol-1-ylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

8-chloro-2-methyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridin-2-amine;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylbutan-2-ol;2,7-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-(1-imidazol-1-ylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 158570633) has the molecular formula C100H114ClN17O and a molecular weight of 1605.58 g/mol. Its IUPAC name is 8-chloro-2-methyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridin-2-amine;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylbutan-2-ol;2,7-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-(1-imidazol-1-ylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 8-chloro-2-methyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridin-2-amine;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylbutan-2-ol;2,7-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-(1-imidazol-1-ylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 158570633
• Molecular Formula: C100H114ClN17O
• Molecular Weight: 1605.58 g/mol
• Exact Mass: 1603.91
• IUPAC Name: 8-chloro-2-methyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridin-2-amine;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylbutan-2-ol;2,7-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-(1-imidazol-1-ylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
• SMILES: C=C(Cn1c2c(c3cc(Cl)ccc31)CN(C)CC2)c1ccncc1.C=C(n1ccnc1)n1c2c(c3cc(C)ccc31)CN(C)CC2.CCC(O)(Cn1c2c(c3cc(C)ccc31)CN(C)CC2)c1cccnc1.Cc1ccc2c(c1)c1c(n2CNc2ccccn2)CCN(C)C1.Cc1ccc2c3c(n(CCc4ccc(C)nc4)c2c1)CCN(C)C3
• InChI: InChI=1S/C22H27N3O.C21H25N3.C20H20ClN3.C19H22N4.C18H20N4/c1-4-22(26,17-6-5-10-23-13-17)15-25-20-8-7-16(2)12-18(20)19-14-24(3)11-9-21(19)25;1-15-4-7-18-19-14-23(3)10-9-20(19)24(21(18)12-15)11-8-17-6-5-16(2)22-13-17;1-14(15-5-8-22-9-6-15)12-24-19-4-3-16(21)11-17(19)18-13-23(2)10-7-20(18)24;1-14-6-7-17-15(11-14)16-12-22(2)10-8-18(16)23(17)13-21-19-5-3-4-9-20-19;1-13-4-5-17-15(10-13)16-11-20(3)8-6-18(16)22(17)14(2)21-9-7-19-12-21/h5-8,10,12-13,26H,4,9,11,14-15H2,1-3H3;4-7,12-13H,8-11,14H2,1-3H3;3-6,8-9,11H,1,7,10,12-13H2,2H3;3-7,9,11H,8,10,12-13H2,1-2H3,(H,20,21);4-5,7,9-10,12H,2,6,8,11H2,1,3H3
• InChIKey: HSAMUJZPDWFXJE-UHFFFAOYSA-N
• XLogP: 18.24
• TPSA: 142.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1605.58
LogP ≤ 5	18.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-methyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridin-2-amine;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylbutan-2-ol;2,7-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-(1-imidazol-1-ylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

The IUPAC name of 8-chloro-2-methyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridin-2-amine;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylbutan-2-ol;2,7-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-(1-imidazol-1-ylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 158570633) is 8-chloro-2-methyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridin-2-amine;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylbutan-2-ol;2,7-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-(1-imidazol-1-ylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

What is the SMILES notation for 8-chloro-2-methyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridin-2-amine;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylbutan-2-ol;2,7-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-(1-imidazol-1-ylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

The canonical SMILES for 8-chloro-2-methyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridin-2-amine;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylbutan-2-ol;2,7-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-(1-imidazol-1-ylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is C=C(Cn1c2c(c3cc(Cl)ccc31)CN(C)CC2)c1ccncc1.C=C(n1ccnc1)n1c2c(c3cc(C)ccc31)CN(C)CC2.CCC(O)(Cn1c2c(c3cc(C)ccc31)CN(C)CC2)c1cccnc1.Cc1ccc2c(c1)c1c(n2CNc2ccccn2)CCN(C)C1.Cc1ccc2c3c(n(CCc4ccc(C)nc4)c2c1)CCN(C)C3.

What is the InChIKey of 8-chloro-2-methyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridin-2-amine;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylbutan-2-ol;2,7-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-(1-imidazol-1-ylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

The InChIKey is HSAMUJZPDWFXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O.C21H25N3.C20H20ClN3.C19H22N4.C18H20N4/c1-4-22(26,17-6-5-10-23-13-17)15-25-20-8-7-16(2)12-18(20)19-14-24(3)11-9-21(19)25;1-15-4-7-18-19-14-23(3)10-9-20(19)24(21(18)12-15)11-8-17-6-5-16(2)22-13-17;1-14(15-5-8-22-9-6-15)12-24-19-4-3-16(21)11-17(19)18-13-23(2)10-7-20(18)24;1-14-6-7-17-15(11-14)16-12-22(2)10-8-18(16)23(17)13-21-19-5-3-4-9-20-19;1-13-4-5-17-15(10-13)16-11-20(3)8-6-18(16)22(17)14(2)21-9-7-19-12-21/h5-8,10,12-13,26H,4,9,11,14-15H2,1-3H3;4-7,12-13H,8-11,14H2,1-3H3;3-6,8-9,11H,1,7,10,12-13H2,2H3;3-7,9,11H,8,10,12-13H2,1-2H3,(H,20,21);4-5,7,9-10,12H,2,6,8,11H2,1,3H3.

What are the key properties of 8-chloro-2-methyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridin-2-amine;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylbutan-2-ol;2,7-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-(1-imidazol-1-ylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

8-chloro-2-methyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridin-2-amine;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylbutan-2-ol;2,7-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-(1-imidazol-1-ylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 1605.58 g/mol, XLogP of 18.24, 15 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-2-methyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridin-2-amine;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylbutan-2-ol;2,7-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-(1-imidazol-1-ylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 158570633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).