[4-(1,3-benzodioxol-5-ylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;6-N,9-dimethyl-2-N-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-N,9-dimethyl-2-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethylphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;[4-(4-fluoroanilino)phenyl]-(4-methylpiperidin-1-yl)methanone;N-(4-fluorophenyl)-6-methoxy-9-methyl-5,6,7,8-tetrahydrocarbazol-2-amine

C123H142F2N22O5 — CID 158285138

About [4-(1,3-benzodioxol-5-ylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;6-N,9-dimethyl-2-N-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-N,9-dimethyl-2-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethylphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;[4-(4-fluoroanilino)phenyl]-(4-methylpiperidin-1-yl)methanone;N-(4-fluorophenyl)-6-methoxy-9-methyl-5,6,7,8-tetrahydrocarbazol-2-amine

[4-(1,3-benzodioxol-5-ylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;6-N,9-dimethyl-2-N-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-N,9-dimethyl-2-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethylphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;[4-(4-fluoroanilino)phenyl]-(4-methylpiperidin-1-yl)methanone;N-(4-fluorophenyl)-6-methoxy-9-methyl-5,6,7,8-tetrahydrocarbazol-2-amine (PubChem CID 158285138) has the molecular formula C123H142F2N22O5 and a molecular weight of 2046.63 g/mol. Its IUPAC name is [4-(1,3-benzodioxol-5-ylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;6-N,9-dimethyl-2-N-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-N,9-dimethyl-2-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethylphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;[4-(4-fluoroanilino)phenyl]-(4-methylpiperidin-1-yl)methanone;N-(4-fluorophenyl)-6-methoxy-9-methyl-5,6,7,8-tetrahydrocarbazol-2-amine.

Molecular Properties

• Compound Name: [4-(1,3-benzodioxol-5-ylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;6-N,9-dimethyl-2-N-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-N,9-dimethyl-2-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethylphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;[4-(4-fluoroanilino)phenyl]-(4-methylpiperidin-1-yl)methanone;N-(4-fluorophenyl)-6-methoxy-9-methyl-5,6,7,8-tetrahydrocarbazol-2-amine
• PubChem CID: 158285138
• Molecular Formula: C123H142F2N22O5
• Molecular Weight: 2046.63 g/mol
• Exact Mass: 2045.15
• IUPAC Name: [4-(1,3-benzodioxol-5-ylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;6-N,9-dimethyl-2-N-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-N,9-dimethyl-2-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethylphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;[4-(4-fluoroanilino)phenyl]-(4-methylpiperidin-1-yl)methanone;N-(4-fluorophenyl)-6-methoxy-9-methyl-5,6,7,8-tetrahydrocarbazol-2-amine
• SMILES: CC1CCN(C(=O)c2ccc(Nc3ccc(F)cc3)cc2)CC1.CN1CCN(C(=O)c2ccc(Nc3ccc4c(c3)OCO4)cc2)CC1.CNC1CCc2c(c3ccc(Nc4ccc(C)c(C)c4)nc3n2C)C1.CNC1CCc2c(c3ccc(Nc4ccc5c(c4)CN(C)CC5)nc3n2C)C1.CNC1CCc2c(c3ccc(Nc4ccc5ncn(C)c5c4)nc3n2C)C1.COC1CCc2c(c3ccc(Nc4ccc(F)cc4)cc3n2C)C1
• InChI: InChI=1S/C23H29N5.C21H24N6.C21H26N4.C20H21FN2O.C19H21FN2O.C19H21N3O3/c1-24-17-6-8-21-20(13-17)19-7-9-22(26-23(19)28(21)3)25-18-5-4-15-10-11-27(2)14-16(15)12-18;1-22-13-5-8-18-16(10-13)15-6-9-20(25-21(15)27(18)3)24-14-4-7-17-19(11-14)26(2)12-23-17;1-13-5-6-16(11-14(13)2)23-20-10-8-17-18-12-15(22-3)7-9-19(18)25(4)21(17)24-20;1-23-19-10-8-16(24-2)12-18(19)17-9-7-15(11-20(17)23)22-14-5-3-13(21)4-6-14;1-14-10-12-22(13-11-14)19(23)15-2-6-17(7-3-15)21-18-8-4-16(20)5-9-18;1-21-8-10-22(11-9-21)19(23)14-2-4-15(5-3-14)20-16-6-7-17-18(12-16)25-13-24-17/h4-5,7,9,12,17,24H,6,8,10-11,13-14H2,1-3H3,(H,25,26);4,6-7,9,11-13,22H,5,8,10H2,1-3H3,(H,24,25);5-6,8,10-11,15,22H,7,9,12H2,1-4H3,(H,23,24);3-7,9,11,16,22H,8,10,12H2,1-2H3;2-9,14,21H,10-13H2,1H3;2-7,12,20H,8-11,13H2,1H3
• InChIKey: GKRNRUHICTWVFV-UHFFFAOYSA-N
• XLogP: 22.22
• TPSA: 259.27 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2046.63
LogP ≤ 5	22.22
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzodioxol-5-ylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;6-N,9-dimethyl-2-N-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-N,9-dimethyl-2-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethylphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;[4-(4-fluoroanilino)phenyl]-(4-methylpiperidin-1-yl)methanone;N-(4-fluorophenyl)-6-methoxy-9-methyl-5,6,7,8-tetrahydrocarbazol-2-amine?

The IUPAC name of [4-(1,3-benzodioxol-5-ylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;6-N,9-dimethyl-2-N-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-N,9-dimethyl-2-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethylphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;[4-(4-fluoroanilino)phenyl]-(4-methylpiperidin-1-yl)methanone;N-(4-fluorophenyl)-6-methoxy-9-methyl-5,6,7,8-tetrahydrocarbazol-2-amine (CID 158285138) is [4-(1,3-benzodioxol-5-ylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;6-N,9-dimethyl-2-N-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-N,9-dimethyl-2-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethylphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;[4-(4-fluoroanilino)phenyl]-(4-methylpiperidin-1-yl)methanone;N-(4-fluorophenyl)-6-methoxy-9-methyl-5,6,7,8-tetrahydrocarbazol-2-amine.

What is the SMILES notation for [4-(1,3-benzodioxol-5-ylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;6-N,9-dimethyl-2-N-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-N,9-dimethyl-2-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethylphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;[4-(4-fluoroanilino)phenyl]-(4-methylpiperidin-1-yl)methanone;N-(4-fluorophenyl)-6-methoxy-9-methyl-5,6,7,8-tetrahydrocarbazol-2-amine?

The canonical SMILES for [4-(1,3-benzodioxol-5-ylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;6-N,9-dimethyl-2-N-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-N,9-dimethyl-2-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethylphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;[4-(4-fluoroanilino)phenyl]-(4-methylpiperidin-1-yl)methanone;N-(4-fluorophenyl)-6-methoxy-9-methyl-5,6,7,8-tetrahydrocarbazol-2-amine is CC1CCN(C(=O)c2ccc(Nc3ccc(F)cc3)cc2)CC1.CN1CCN(C(=O)c2ccc(Nc3ccc4c(c3)OCO4)cc2)CC1.CNC1CCc2c(c3ccc(Nc4ccc(C)c(C)c4)nc3n2C)C1.CNC1CCc2c(c3ccc(Nc4ccc5c(c4)CN(C)CC5)nc3n2C)C1.CNC1CCc2c(c3ccc(Nc4ccc5ncn(C)c5c4)nc3n2C)C1.COC1CCc2c(c3ccc(Nc4ccc(F)cc4)cc3n2C)C1.

What is the InChIKey of [4-(1,3-benzodioxol-5-ylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;6-N,9-dimethyl-2-N-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-N,9-dimethyl-2-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethylphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;[4-(4-fluoroanilino)phenyl]-(4-methylpiperidin-1-yl)methanone;N-(4-fluorophenyl)-6-methoxy-9-methyl-5,6,7,8-tetrahydrocarbazol-2-amine?

The InChIKey is GKRNRUHICTWVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5.C21H24N6.C21H26N4.C20H21FN2O.C19H21FN2O.C19H21N3O3/c1-24-17-6-8-21-20(13-17)19-7-9-22(26-23(19)28(21)3)25-18-5-4-15-10-11-27(2)14-16(15)12-18;1-22-13-5-8-18-16(10-13)15-6-9-20(25-21(15)27(18)3)24-14-4-7-17-19(11-14)26(2)12-23-17;1-13-5-6-16(11-14(13)2)23-20-10-8-17-18-12-15(22-3)7-9-19(18)25(4)21(17)24-20;1-23-19-10-8-16(24-2)12-18(19)17-9-7-15(11-20(17)23)22-14-5-3-13(21)4-6-14;1-14-10-12-22(13-11-14)19(23)15-2-6-17(7-3-15)21-18-8-4-16(20)5-9-18;1-21-8-10-22(11-9-21)19(23)14-2-4-15(5-3-14)20-16-6-7-17-18(12-16)25-13-24-17/h4-5,7,9,12,17,24H,6,8,10-11,13-14H2,1-3H3,(H,25,26);4,6-7,9,11-13,22H,5,8,10H2,1-3H3,(H,24,25);5-6,8,10-11,15,22H,7,9,12H2,1-4H3,(H,23,24);3-7,9,11,16,22H,8,10,12H2,1-2H3;2-9,14,21H,10-13H2,1H3;2-7,12,20H,8-11,13H2,1H3.

What are the key properties of [4-(1,3-benzodioxol-5-ylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;6-N,9-dimethyl-2-N-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-N,9-dimethyl-2-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethylphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;[4-(4-fluoroanilino)phenyl]-(4-methylpiperidin-1-yl)methanone;N-(4-fluorophenyl)-6-methoxy-9-methyl-5,6,7,8-tetrahydrocarbazol-2-amine?

[4-(1,3-benzodioxol-5-ylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;6-N,9-dimethyl-2-N-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-N,9-dimethyl-2-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethylphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;[4-(4-fluoroanilino)phenyl]-(4-methylpiperidin-1-yl)methanone;N-(4-fluorophenyl)-6-methoxy-9-methyl-5,6,7,8-tetrahydrocarbazol-2-amine has a molecular weight of 2046.63 g/mol, XLogP of 22.22, 18 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(1,3-benzodioxol-5-ylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;6-N,9-dimethyl-2-N-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-N,9-dimethyl-2-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethylphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;[4-(4-fluoroanilino)phenyl]-(4-methylpiperidin-1-yl)methanone;N-(4-fluorophenyl)-6-methoxy-9-methyl-5,6,7,8-tetrahydrocarbazol-2-amine is sourced from PubChem (CID 158285138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).