4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridazin-3-yl]morpholine;3-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridazin-3-yl]-8-oxa-3-azabicyclo[3.2.1]octane;4-[7-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;5-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;hydrochloride

C107H110ClF4N23O6S — CID 158744597

About 4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridazin-3-yl]morpholine;3-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridazin-3-yl]-8-oxa-3-azabicyclo[3.2.1]octane;4-[7-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;5-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;hydrochloride

4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridazin-3-yl]morpholine;3-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridazin-3-yl]-8-oxa-3-azabicyclo[3.2.1]octane;4-[7-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;5-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;hydrochloride (PubChem CID 158744597) has the molecular formula C107H110ClF4N23O6S and a molecular weight of 1957.72 g/mol. Its IUPAC name is 4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridazin-3-yl]morpholine;3-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridazin-3-yl]-8-oxa-3-azabicyclo[3.2.1]octane;4-[7-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;5-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;hydrochloride.

Molecular Properties

• Compound Name: 4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridazin-3-yl]morpholine;3-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridazin-3-yl]-8-oxa-3-azabicyclo[3.2.1]octane;4-[7-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;5-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;hydrochloride
• PubChem CID: 158744597
• Molecular Formula: C107H110ClF4N23O6S
• Molecular Weight: 1957.72 g/mol
• Exact Mass: 1955.84
• IUPAC Name: 4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridazin-3-yl]morpholine;3-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridazin-3-yl]-8-oxa-3-azabicyclo[3.2.1]octane;4-[7-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;5-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;hydrochloride
• SMILES: COc1ccc2c(c1)c1c(n2C)CCN(c2ccc3oc(N(C)C)nc3c2)C1.Cl.Fc1ccc2[nH]c3c(c2c1)CN(c1ccc2ccc(N4CCOCC4)nc2c1)CC3.Fc1ccc2c3c([nH]c2c1)CCN(c1cc2sc(N4CCOCC4)nc2cn1)C3.Fc1ccc2c3c([nH]c2c1)CCN(c1ccc(N2CC4CCC(C2)O4)nn1)C3.Fc1ccc2c3c([nH]c2c1)CCN(c1ccc(N2CCOCC2)nn1)C3
• InChI: InChI=1S/C24H23FN4O.C22H24N4O2.C21H20FN5OS.C21H22FN5O.C19H20FN5O.ClH/c25-17-3-5-21-19(13-17)20-15-29(8-7-22(20)26-21)18-4-1-16-2-6-24(27-23(16)14-18)28-9-11-30-12-10-28;1-24(2)22-23-18-11-14(5-8-21(18)28-22)26-10-9-20-17(13-26)16-12-15(27-4)6-7-19(16)25(20)3;22-13-1-2-14-15-12-27(4-3-16(15)24-17(14)9-13)20-10-19-18(11-23-20)25-21(29-19)26-5-7-28-8-6-26;22-13-1-4-16-17-12-26(8-7-18(17)23-19(16)9-13)20-5-6-21(25-24-20)27-10-14-2-3-15(11-27)28-14;20-13-1-2-14-15-12-25(6-5-16(15)21-17(14)11-13)19-4-3-18(22-23-19)24-7-9-26-10-8-24;/h1-6,13-14,26H,7-12,15H2;5-8,11-12H,9-10,13H2,1-4H3;1-2,9-11,24H,3-8,12H2;1,4-6,9,14-15,23H,2-3,7-8,10-12H2;1-4,11,21H,5-10,12H2;1H
• InChIKey: PHSZIUSRRZHNMW-UHFFFAOYSA-N
• XLogP: 17.87
• TPSA: 262.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 11
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1957.72
LogP ≤ 5	17.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridazin-3-yl]morpholine;3-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridazin-3-yl]-8-oxa-3-azabicyclo[3.2.1]octane;4-[7-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;5-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;hydrochloride?

The IUPAC name of 4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridazin-3-yl]morpholine;3-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridazin-3-yl]-8-oxa-3-azabicyclo[3.2.1]octane;4-[7-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;5-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;hydrochloride (CID 158744597) is 4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridazin-3-yl]morpholine;3-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridazin-3-yl]-8-oxa-3-azabicyclo[3.2.1]octane;4-[7-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;5-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;hydrochloride.

What is the SMILES notation for 4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridazin-3-yl]morpholine;3-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridazin-3-yl]-8-oxa-3-azabicyclo[3.2.1]octane;4-[7-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;5-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;hydrochloride?

The canonical SMILES for 4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridazin-3-yl]morpholine;3-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridazin-3-yl]-8-oxa-3-azabicyclo[3.2.1]octane;4-[7-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;5-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;hydrochloride is COc1ccc2c(c1)c1c(n2C)CCN(c2ccc3oc(N(C)C)nc3c2)C1.Cl.Fc1ccc2[nH]c3c(c2c1)CN(c1ccc2ccc(N4CCOCC4)nc2c1)CC3.Fc1ccc2c3c([nH]c2c1)CCN(c1cc2sc(N4CCOCC4)nc2cn1)C3.Fc1ccc2c3c([nH]c2c1)CCN(c1ccc(N2CC4CCC(C2)O4)nn1)C3.Fc1ccc2c3c([nH]c2c1)CCN(c1ccc(N2CCOCC2)nn1)C3.

What is the InChIKey of 4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridazin-3-yl]morpholine;3-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridazin-3-yl]-8-oxa-3-azabicyclo[3.2.1]octane;4-[7-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;5-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;hydrochloride?

The InChIKey is PHSZIUSRRZHNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O.C22H24N4O2.C21H20FN5OS.C21H22FN5O.C19H20FN5O.ClH/c25-17-3-5-21-19(13-17)20-15-29(8-7-22(20)26-21)18-4-1-16-2-6-24(27-23(16)14-18)28-9-11-30-12-10-28;1-24(2)22-23-18-11-14(5-8-21(18)28-22)26-10-9-20-17(13-26)16-12-15(27-4)6-7-19(16)25(20)3;22-13-1-2-14-15-12-27(4-3-16(15)24-17(14)9-13)20-10-19-18(11-23-20)25-21(29-19)26-5-7-28-8-6-26;22-13-1-4-16-17-12-26(8-7-18(17)23-19(16)9-13)20-5-6-21(25-24-20)27-10-14-2-3-15(11-27)28-14;20-13-1-2-14-15-12-25(6-5-16(15)21-17(14)11-13)19-4-3-18(22-23-19)24-7-9-26-10-8-24;/h1-6,13-14,26H,7-12,15H2;5-8,11-12H,9-10,13H2,1-4H3;1-2,9-11,24H,3-8,12H2;1,4-6,9,14-15,23H,2-3,7-8,10-12H2;1-4,11,21H,5-10,12H2;1H.

What are the key properties of 4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridazin-3-yl]morpholine;3-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridazin-3-yl]-8-oxa-3-azabicyclo[3.2.1]octane;4-[7-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;5-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;hydrochloride?

4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridazin-3-yl]morpholine;3-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridazin-3-yl]-8-oxa-3-azabicyclo[3.2.1]octane;4-[7-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;5-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;hydrochloride has a molecular weight of 1957.72 g/mol, XLogP of 17.87, 11 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridazin-3-yl]morpholine;3-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridazin-3-yl]-8-oxa-3-azabicyclo[3.2.1]octane;4-[7-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;5-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;hydrochloride is sourced from PubChem (CID 158744597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).