1-chloro-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine;1-methoxy-N,N-dimethyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,4-b]indol-9-amine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-[1]benzofuro[2,3-b]pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-9H-pyrido[2,3-b]indole

C119H130ClF3N22O3 — CID 158183431

About 1-chloro-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine;1-methoxy-N,N-dimethyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,4-b]indol-9-amine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-[1]benzofuro[2,3-b]pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-9H-pyrido[2,3-b]indole

1-chloro-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine;1-methoxy-N,N-dimethyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,4-b]indol-9-amine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-[1]benzofuro[2,3-b]pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-9H-pyrido[2,3-b]indole (PubChem CID 158183431) has the molecular formula C119H130ClF3N22O3 and a molecular weight of 2008.95 g/mol. Its IUPAC name is 1-chloro-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine;1-methoxy-N,N-dimethyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,4-b]indol-9-amine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-[1]benzofuro[2,3-b]pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-9H-pyrido[2,3-b]indole.

Molecular Properties

• Compound Name: 1-chloro-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine;1-methoxy-N,N-dimethyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,4-b]indol-9-amine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-[1]benzofuro[2,3-b]pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-9H-pyrido[2,3-b]indole
• PubChem CID: 158183431
• Molecular Formula: C119H130ClF3N22O3
• Molecular Weight: 2008.95 g/mol
• Exact Mass: 2007.03
• IUPAC Name: 1-chloro-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine;1-methoxy-N,N-dimethyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,4-b]indol-9-amine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-[1]benzofuro[2,3-b]pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-9H-pyrido[2,3-b]indole
• SMILES: CN1CCC[C@H]1c1cnc(Cl)c2[nH]c3ccccc3c12.CN1CCC[C@H]1c1cnc2[nH]c3ccccc3c2c1.CN1CCC[C@H]1c1cnc2[nH]c3ccccc3c2c1C(F)(F)F.CN1CCC[C@H]1c1cnc2c(c1)c1ccccc1n2N(C)C.CN1CCC[C@H]1c1cnc2oc3ccccc3c2c1.COc1ncc([C@@H]2CCCN2C)c2c1[nH]c1ccccc12.COc1ncc([C@@H]2CCCN2C)c2c3ccccc3n(N(C)C)c12
• InChI: InChI=1S/C19H24N4O.C18H22N4.C17H16F3N3.C17H19N3O.C16H16ClN3.C16H17N3.C16H16N2O/c1-21(2)23-16-9-6-5-8-13(16)17-14(15-10-7-11-22(15)3)12-20-19(24-4)18(17)23;1-20(2)22-17-8-5-4-7-14(17)15-11-13(12-19-18(15)22)16-9-6-10-21(16)3;1-23-8-4-7-13(23)11-9-21-16-14(15(11)17(18,19)20)10-5-2-3-6-12(10)22-16;1-20-9-5-8-14(20)12-10-18-17(21-2)16-15(12)11-6-3-4-7-13(11)19-16;1-20-8-4-7-13(20)11-9-18-16(17)15-14(11)10-5-2-3-6-12(10)19-15;1-19-8-4-7-15(19)11-9-13-12-5-2-3-6-14(12)18-16(13)17-10-11;1-18-8-4-6-14(18)11-9-13-12-5-2-3-7-15(12)19-16(13)17-10-11/h5-6,8-9,12,15H,7,10-11H2,1-4H3;4-5,7-8,11-12,16H,6,9-10H2,1-3H3;2-3,5-6,9,13H,4,7-8H2,1H3,(H,21,22);3-4,6-7,10,14,19H,5,8-9H2,1-2H3;2-3,5-6,9,13,19H,4,7-8H2,1H3;2-3,5-6,9-10,15H,4,7-8H2,1H3,(H,17,18);2-3,5,7,9-10,14H,4,6,8H2,1H3/t15-;16-;13-;14-;13-;15-;14-/m0000000/s1
• InChIKey: FYWFKJVHCWGSHV-RLJZRSNDSA-N
• XLogP: 25.68
• TPSA: 224.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 11
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2008.95
LogP ≤ 5	25.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine;1-methoxy-N,N-dimethyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,4-b]indol-9-amine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-[1]benzofuro[2,3-b]pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-9H-pyrido[2,3-b]indole?

The IUPAC name of 1-chloro-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine;1-methoxy-N,N-dimethyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,4-b]indol-9-amine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-[1]benzofuro[2,3-b]pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-9H-pyrido[2,3-b]indole (CID 158183431) is 1-chloro-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine;1-methoxy-N,N-dimethyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,4-b]indol-9-amine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-[1]benzofuro[2,3-b]pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-9H-pyrido[2,3-b]indole.

What is the SMILES notation for 1-chloro-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine;1-methoxy-N,N-dimethyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,4-b]indol-9-amine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-[1]benzofuro[2,3-b]pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-9H-pyrido[2,3-b]indole?

The canonical SMILES for 1-chloro-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine;1-methoxy-N,N-dimethyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,4-b]indol-9-amine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-[1]benzofuro[2,3-b]pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-9H-pyrido[2,3-b]indole is CN1CCC[C@H]1c1cnc(Cl)c2[nH]c3ccccc3c12.CN1CCC[C@H]1c1cnc2[nH]c3ccccc3c2c1.CN1CCC[C@H]1c1cnc2[nH]c3ccccc3c2c1C(F)(F)F.CN1CCC[C@H]1c1cnc2c(c1)c1ccccc1n2N(C)C.CN1CCC[C@H]1c1cnc2oc3ccccc3c2c1.COc1ncc([C@@H]2CCCN2C)c2c1[nH]c1ccccc12.COc1ncc([C@@H]2CCCN2C)c2c3ccccc3n(N(C)C)c12.

What is the InChIKey of 1-chloro-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine;1-methoxy-N,N-dimethyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,4-b]indol-9-amine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-[1]benzofuro[2,3-b]pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-9H-pyrido[2,3-b]indole?

The InChIKey is FYWFKJVHCWGSHV-RLJZRSNDSA-N. The full InChI is InChI=1S/C19H24N4O.C18H22N4.C17H16F3N3.C17H19N3O.C16H16ClN3.C16H17N3.C16H16N2O/c1-21(2)23-16-9-6-5-8-13(16)17-14(15-10-7-11-22(15)3)12-20-19(24-4)18(17)23;1-20(2)22-17-8-5-4-7-14(17)15-11-13(12-19-18(15)22)16-9-6-10-21(16)3;1-23-8-4-7-13(23)11-9-21-16-14(15(11)17(18,19)20)10-5-2-3-6-12(10)22-16;1-20-9-5-8-14(20)12-10-18-17(21-2)16-15(12)11-6-3-4-7-13(11)19-16;1-20-8-4-7-13(20)11-9-18-16(17)15-14(11)10-5-2-3-6-12(10)19-15;1-19-8-4-7-15(19)11-9-13-12-5-2-3-6-14(12)18-16(13)17-10-11;1-18-8-4-6-14(18)11-9-13-12-5-2-3-7-15(12)19-16(13)17-10-11/h5-6,8-9,12,15H,7,10-11H2,1-4H3;4-5,7-8,11-12,16H,6,9-10H2,1-3H3;2-3,5-6,9,13H,4,7-8H2,1H3,(H,21,22);3-4,6-7,10,14,19H,5,8-9H2,1-2H3;2-3,5-6,9,13,19H,4,7-8H2,1H3;2-3,5-6,9-10,15H,4,7-8H2,1H3,(H,17,18);2-3,5,7,9-10,14H,4,6,8H2,1H3/t15-;16-;13-;14-;13-;15-;14-/m0000000/s1.

What are the key properties of 1-chloro-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine;1-methoxy-N,N-dimethyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,4-b]indol-9-amine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-[1]benzofuro[2,3-b]pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-9H-pyrido[2,3-b]indole?

1-chloro-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine;1-methoxy-N,N-dimethyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,4-b]indol-9-amine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-[1]benzofuro[2,3-b]pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-9H-pyrido[2,3-b]indole has a molecular weight of 2008.95 g/mol, XLogP of 25.68, 11 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine;1-methoxy-N,N-dimethyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,4-b]indol-9-amine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-[1]benzofuro[2,3-b]pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 158183431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).