6-bromo-1H-indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyrrolidin-1-yl-1H-indole;1-methylpiperidin-4-one;pyrrolidine;6-pyrrolidin-1-yl-1H-indole

C48H63BrN8O — CID 159385928

IUPAC6-bromo-1H-indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyrrolidin-1-yl-1H-indole;1-methylpiperidin-4-one;pyrrolidine;6-pyrrolidin-1-yl-1H-indole
SMILESBrc1ccc2cc[nH]c2c1.C1CCNC1.CN1CC=C(c2c[nH]c3cc(N4CCCC4)ccc23)CC1.CN1CCC(=O)CC1.c1cc2ccc(N3CCCC3)cc2[nH]1
InChIInChI=1S/C18H23N3.C12H14N2.C8H6BrN.C6H11NO.C4H9N/c1-20-10-6-14(7-11-20)17-13-19-18-12-15(4-5-16(17)18)21-8-2-3-9-21;1-2-8-14(7-1)11-4-3-10-5-6-13-12(10)9-11;9-7-2-1-6-3-4-10-8(6)5-7;1-7-4-2-6(8)3-5-7;1-2-4-5-3-1/h4-6,12-13,19H,2-3,7-11H2,1H3;3-6,9,13H,1-2,7-8H2;1-5,10H;2-5H2,1H3;5H,1-4H2
InChIKeyLLMLNCKYVZREDU-UHFFFAOYSA-N
MW847.99 g/mol
LogP9.84
Rot. Bonds3

About 6-bromo-1H-indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyrrolidin-1-yl-1H-indole;1-methylpiperidin-4-one;pyrrolidine;6-pyrrolidin-1-yl-1H-indole

6-bromo-1H-indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyrrolidin-1-yl-1H-indole;1-methylpiperidin-4-one;pyrrolidine;6-pyrrolidin-1-yl-1H-indole (PubChem CID 159385928) has the molecular formula C48H63BrN8O and a molecular weight of 847.99 g/mol. Its IUPAC name is 6-bromo-1H-indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyrrolidin-1-yl-1H-indole;1-methylpiperidin-4-one;pyrrolidine;6-pyrrolidin-1-yl-1H-indole.

Molecular Properties

Compound Name6-bromo-1H-indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyrrolidin-1-yl-1H-indole;1-methylpiperidin-4-one;pyrrolidine;6-pyrrolidin-1-yl-1H-indole
PubChem CID159385928
Molecular FormulaC48H63BrN8O
Molecular Weight847.99 g/mol
Exact Mass846.43
IUPAC Name6-bromo-1H-indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyrrolidin-1-yl-1H-indole;1-methylpiperidin-4-one;pyrrolidine;6-pyrrolidin-1-yl-1H-indole
SMILESBrc1ccc2cc[nH]c2c1.C1CCNC1.CN1CC=C(c2c[nH]c3cc(N4CCCC4)ccc23)CC1.CN1CCC(=O)CC1.c1cc2ccc(N3CCCC3)cc2[nH]1
InChIInChI=1S/C18H23N3.C12H14N2.C8H6BrN.C6H11NO.C4H9N/c1-20-10-6-14(7-11-20)17-13-19-18-12-15(4-5-16(17)18)21-8-2-3-9-21;1-2-8-14(7-1)11-4-3-10-5-6-13-12(10)9-11;9-7-2-1-6-3-4-10-8(6)5-7;1-7-4-2-6(8)3-5-7;1-2-4-5-3-1/h4-6,12-13,19H,2-3,7-11H2,1H3;3-6,9,13H,1-2,7-8H2;1-5,10H;2-5H2,1H3;5H,1-4H2
InChIKeyLLMLNCKYVZREDU-UHFFFAOYSA-N
XLogP9.84
TPSA89.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.99
LogP ≤ 59.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-bromo-1H-indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyrrolidin-1-yl-1H-indole;1-methylpiperidin-4-one;pyrrolidine;6-pyrrolidin-1-yl-1H-indole with MolForge

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Related Compounds

3-(6-bromo-1H-indol-1-yl)-N-(1H-indol-6-yl)propanamide
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3-(4-bromophenyl)-2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-1H-indole
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3-(4-bromophenyl)pyridine;3-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole
CID 157268120
5-bromo-1H-indole;5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;[5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-tri(propan-2-yl)silane;[5-bromo-3-(1-methylpiperidin-4-yl)indol-1-yl]-tri(propan-2-yl)silane;1-methylpiperidin-4-one
CID 158004359
4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)aniline;1-phenyl-6H-pyrrolo[3,2-c]carbazole
CID 158056699
CID 158625081
CID 158625081
(4-bromophenyl)-diphenylphosphane;diphenyl-[4-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phosphane;3-phenyl-10H-pyrrolo[3,2-a]carbazole
CID 158684139
9H-carbazole;6,15,24-tribromo-9,18,27-tris(2-ethylhexyl)-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene;6,15,24-tri(carbazol-9-yl)-9,18,27-tris(2-ethylhexyl)-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene
CID 158756785
5-(3-bromophenyl)pyrido[4,3-b]indole;3-carbazol-9-ylaniline;N-(3-carbazol-9-ylphenyl)-3-pyrido[4,3-b]indol-5-yl-N-(3-pyrido[4,3-b]indol-5-ylphenyl)aniline
CID 159006273
4-[8,13-bis[4-(N-phenylanilino)phenyl]-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-3-yl]-N,N-diphenylaniline;1-bromo-4-iodobenzene;methane;N-phenylaniline;3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene;3,8,13-tris(4-bromophenyl)-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 159858714
1-Iodooctane;6,15,24-tribromo-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene;6,15,24-tribromo-9,18,27-trioctyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene
CID 160035872
CID 160251466
CID 160251466

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyrrolidin-1-yl-1H-indole;1-methylpiperidin-4-one;pyrrolidine;6-pyrrolidin-1-yl-1H-indole?
The IUPAC name of 6-bromo-1H-indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyrrolidin-1-yl-1H-indole;1-methylpiperidin-4-one;pyrrolidine;6-pyrrolidin-1-yl-1H-indole (CID 159385928) is 6-bromo-1H-indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyrrolidin-1-yl-1H-indole;1-methylpiperidin-4-one;pyrrolidine;6-pyrrolidin-1-yl-1H-indole.
What is the SMILES notation for 6-bromo-1H-indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyrrolidin-1-yl-1H-indole;1-methylpiperidin-4-one;pyrrolidine;6-pyrrolidin-1-yl-1H-indole?
The canonical SMILES for 6-bromo-1H-indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyrrolidin-1-yl-1H-indole;1-methylpiperidin-4-one;pyrrolidine;6-pyrrolidin-1-yl-1H-indole is Brc1ccc2cc[nH]c2c1.C1CCNC1.CN1CC=C(c2c[nH]c3cc(N4CCCC4)ccc23)CC1.CN1CCC(=O)CC1.c1cc2ccc(N3CCCC3)cc2[nH]1.
What is the InChIKey of 6-bromo-1H-indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyrrolidin-1-yl-1H-indole;1-methylpiperidin-4-one;pyrrolidine;6-pyrrolidin-1-yl-1H-indole?
The InChIKey is LLMLNCKYVZREDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3.C12H14N2.C8H6BrN.C6H11NO.C4H9N/c1-20-10-6-14(7-11-20)17-13-19-18-12-15(4-5-16(17)18)21-8-2-3-9-21;1-2-8-14(7-1)11-4-3-10-5-6-13-12(10)9-11;9-7-2-1-6-3-4-10-8(6)5-7;1-7-4-2-6(8)3-5-7;1-2-4-5-3-1/h4-6,12-13,19H,2-3,7-11H2,1H3;3-6,9,13H,1-2,7-8H2;1-5,10H;2-5H2,1H3;5H,1-4H2.
What are the key properties of 6-bromo-1H-indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyrrolidin-1-yl-1H-indole;1-methylpiperidin-4-one;pyrrolidine;6-pyrrolidin-1-yl-1H-indole?
6-bromo-1H-indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyrrolidin-1-yl-1H-indole;1-methylpiperidin-4-one;pyrrolidine;6-pyrrolidin-1-yl-1H-indole has a molecular weight of 847.99 g/mol, XLogP of 9.84, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1H-indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyrrolidin-1-yl-1H-indole;1-methylpiperidin-4-one;pyrrolidine;6-pyrrolidin-1-yl-1H-indole is sourced from PubChem (CID 159385928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).