[1-(4-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanamine;[1-[4-(trifluoromethyl)phenyl]-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine

C113H95ClF4N18O4 — CID 160881197

IUPAC[1-(4-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanamine;[1-[4-(trifluoromethyl)phenyl]-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine
SMILESCOc1cc(-c2nc(CN)cc3c2[nH]c2ccccc23)cc(OC)c1OC.COc1ccc(-c2nc(CN)cc3c2[nH]c2ccccc23)cc1.NCc1cc2c([nH]c3ccccc32)c(-c2ccc(C(F)(F)F)cc2)n1.NCc1cc2c([nH]c3ccccc32)c(-c2ccc(Cl)cc2)n1.NCc1cc2c([nH]c3ccccc32)c(-c2cccc(F)c2)n1.NCc1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1
InChIInChI=1S/C21H21N3O3.C19H14F3N3.C19H17N3O.C18H14ClN3.C18H14FN3.C18H15N3/c1-25-17-8-12(9-18(26-2)21(17)27-3)19-20-15(10-13(11-22)23-19)14-6-4-5-7-16(14)24-20;20-19(21,22)12-7-5-11(6-8-12)17-18-15(9-13(10-23)24-17)14-3-1-2-4-16(14)25-18;1-23-14-8-6-12(7-9-14)18-19-16(10-13(11-20)21-18)15-4-2-3-5-17(15)22-19;19-12-7-5-11(6-8-12)17-18-15(9-13(10-20)21-17)14-3-1-2-4-16(14)22-18;19-12-5-3-4-11(8-12)17-18-15(9-13(10-20)21-17)14-6-1-2-7-16(14)22-18;19-11-13-10-15-14-8-4-5-9-16(14)21-18(15)17(20-13)12-6-2-1-3-7-12/h4-10,24H,11,22H2,1-3H3;1-9,25H,10,23H2;2-10,22H,11,20H2,1H3;2*1-9,22H,10,20H2;1-10,21H,11,19H2
InChIKeySNAYVMBYWWFNDS-UHFFFAOYSA-N
MW1880.57 g/mol
LogP24.90
Rot. Bonds16

About [1-(4-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanamine;[1-[4-(trifluoromethyl)phenyl]-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine

[1-(4-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanamine;[1-[4-(trifluoromethyl)phenyl]-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine (PubChem CID 160881197) has the molecular formula C113H95ClF4N18O4 and a molecular weight of 1880.57 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanamine;[1-[4-(trifluoromethyl)phenyl]-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanamine;[1-[4-(trifluoromethyl)phenyl]-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine
PubChem CID160881197
Molecular FormulaC113H95ClF4N18O4
Molecular Weight1880.57 g/mol
Exact Mass1878.74
IUPAC Name[1-(4-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanamine;[1-[4-(trifluoromethyl)phenyl]-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine
SMILESCOc1cc(-c2nc(CN)cc3c2[nH]c2ccccc23)cc(OC)c1OC.COc1ccc(-c2nc(CN)cc3c2[nH]c2ccccc23)cc1.NCc1cc2c([nH]c3ccccc32)c(-c2ccc(C(F)(F)F)cc2)n1.NCc1cc2c([nH]c3ccccc32)c(-c2ccc(Cl)cc2)n1.NCc1cc2c([nH]c3ccccc32)c(-c2cccc(F)c2)n1.NCc1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1
InChIInChI=1S/C21H21N3O3.C19H14F3N3.C19H17N3O.C18H14ClN3.C18H14FN3.C18H15N3/c1-25-17-8-12(9-18(26-2)21(17)27-3)19-20-15(10-13(11-22)23-19)14-6-4-5-7-16(14)24-20;20-19(21,22)12-7-5-11(6-8-12)17-18-15(9-13(10-23)24-17)14-3-1-2-4-16(14)25-18;1-23-14-8-6-12(7-9-14)18-19-16(10-13(11-20)21-18)15-4-2-3-5-17(15)22-19;19-12-7-5-11(6-8-12)17-18-15(9-13(10-20)21-17)14-3-1-2-4-16(14)22-18;19-12-5-3-4-11(8-12)17-18-15(9-13(10-20)21-17)14-6-1-2-7-16(14)22-18;19-11-13-10-15-14-8-4-5-9-16(14)21-18(15)17(20-13)12-6-2-1-3-7-12/h4-10,24H,11,22H2,1-3H3;1-9,25H,10,23H2;2-10,22H,11,20H2,1H3;2*1-9,22H,10,20H2;1-10,21H,11,19H2
InChIKeySNAYVMBYWWFNDS-UHFFFAOYSA-N
XLogP24.90
TPSA365.12 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001880.57
LogP ≤ 524.90
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1016

Analyze [1-(4-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanamine;[1-[4-(trifluoromethyl)phenyl]-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanamine;[1-[4-(trifluoromethyl)phenyl]-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine?
The IUPAC name of [1-(4-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanamine;[1-[4-(trifluoromethyl)phenyl]-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine (CID 160881197) is [1-(4-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanamine;[1-[4-(trifluoromethyl)phenyl]-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine.
What is the SMILES notation for [1-(4-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanamine;[1-[4-(trifluoromethyl)phenyl]-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine?
The canonical SMILES for [1-(4-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanamine;[1-[4-(trifluoromethyl)phenyl]-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine is COc1cc(-c2nc(CN)cc3c2[nH]c2ccccc23)cc(OC)c1OC.COc1ccc(-c2nc(CN)cc3c2[nH]c2ccccc23)cc1.NCc1cc2c([nH]c3ccccc32)c(-c2ccc(C(F)(F)F)cc2)n1.NCc1cc2c([nH]c3ccccc32)c(-c2ccc(Cl)cc2)n1.NCc1cc2c([nH]c3ccccc32)c(-c2cccc(F)c2)n1.NCc1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1.
What is the InChIKey of [1-(4-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanamine;[1-[4-(trifluoromethyl)phenyl]-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine?
The InChIKey is SNAYVMBYWWFNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3.C19H14F3N3.C19H17N3O.C18H14ClN3.C18H14FN3.C18H15N3/c1-25-17-8-12(9-18(26-2)21(17)27-3)19-20-15(10-13(11-22)23-19)14-6-4-5-7-16(14)24-20;20-19(21,22)12-7-5-11(6-8-12)17-18-15(9-13(10-23)24-17)14-3-1-2-4-16(14)25-18;1-23-14-8-6-12(7-9-14)18-19-16(10-13(11-20)21-18)15-4-2-3-5-17(15)22-19;19-12-7-5-11(6-8-12)17-18-15(9-13(10-20)21-17)14-3-1-2-4-16(14)22-18;19-12-5-3-4-11(8-12)17-18-15(9-13(10-20)21-17)14-6-1-2-7-16(14)22-18;19-11-13-10-15-14-8-4-5-9-16(14)21-18(15)17(20-13)12-6-2-1-3-7-12/h4-10,24H,11,22H2,1-3H3;1-9,25H,10,23H2;2-10,22H,11,20H2,1H3;2*1-9,22H,10,20H2;1-10,21H,11,19H2.
What are the key properties of [1-(4-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanamine;[1-[4-(trifluoromethyl)phenyl]-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine?
[1-(4-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanamine;[1-[4-(trifluoromethyl)phenyl]-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine has a molecular weight of 1880.57 g/mol, XLogP of 24.90, 16 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanamine;[1-[4-(trifluoromethyl)phenyl]-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine is sourced from PubChem (CID 160881197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).