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

C74H104Br4N8OSi2 — CID 158004359

IUPAC5-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
SMILESBrc1ccc2[nH]ccc2c1.CC(C)[Si](C(C)C)(C(C)C)n1cc(C2=CCN(C)CC2)c2cc(Br)ccc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(C2CCN(C)CC2)c2cc(Br)ccc21.CN1CC=C(c2c[nH]c3ccc(Br)cc23)CC1.CN1CCC(=O)CC1
InChIInChI=1S/C23H37BrN2Si.C23H35BrN2Si.C14H15BrN2.C8H6BrN.C6H11NO/c2*1-16(2)27(17(3)4,18(5)6)26-15-22(19-10-12-25(7)13-11-19)21-14-20(24)8-9-23(21)26;1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14;9-7-1-2-8-6(5-7)3-4-10-8;1-7-4-2-6(8)3-5-7/h8-9,14-19H,10-13H2,1-7H3;8-10,14-18H,11-13H2,1-7H3;2-4,8-9,16H,5-7H2,1H3;1-5,10H;2-5H2,1H3
InChIKeyFECLYVSHHAZNJZ-UHFFFAOYSA-N
MW1497.49 g/mol
LogP21.24
Rot. Bonds11

About 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

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 (PubChem CID 158004359) has the molecular formula C74H104Br4N8OSi2 and a molecular weight of 1497.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID158004359
Molecular FormulaC74H104Br4N8OSi2
Molecular Weight1497.49 g/mol
Exact Mass1492.46
IUPAC Name5-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
SMILESBrc1ccc2[nH]ccc2c1.CC(C)[Si](C(C)C)(C(C)C)n1cc(C2=CCN(C)CC2)c2cc(Br)ccc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(C2CCN(C)CC2)c2cc(Br)ccc21.CN1CC=C(c2c[nH]c3ccc(Br)cc23)CC1.CN1CCC(=O)CC1
InChIInChI=1S/C23H37BrN2Si.C23H35BrN2Si.C14H15BrN2.C8H6BrN.C6H11NO/c2*1-16(2)27(17(3)4,18(5)6)26-15-22(19-10-12-25(7)13-11-19)21-14-20(24)8-9-23(21)26;1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14;9-7-1-2-8-6(5-7)3-4-10-8;1-7-4-2-6(8)3-5-7/h8-9,14-19H,10-13H2,1-7H3;8-10,14-18H,11-13H2,1-7H3;2-4,8-9,16H,5-7H2,1H3;1-5,10H;2-5H2,1H3
InChIKeyFECLYVSHHAZNJZ-UHFFFAOYSA-N
XLogP21.24
TPSA71.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001497.49
LogP ≤ 521.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

3-[[5-[bis(5-bromo-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole
CID 127036138
3-[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole
CID 57326785
3-[[4-[bis(1H-indol-3-yl)methyl]phenyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole
CID 57326786
3-[[6-[bis(5-bromo-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole
CID 127035943
5-bromo-3-[2-[1-[2-(5-bromo-1H-indol-3-yl)ethyl]-4,4-bis(1H-indol-5-yl)piperazin-4-ium-2-yl]ethyl]-1H-indole
CID 54543514
ethane;[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]phosphane;[4-(1H-indol-3-yl)piperidin-1-yl]phosphane;1-phosphanylpiperidin-4-one;3-piperidin-4-yl-1H-indole;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 157111569
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;chloromethane;1-methylpiperidin-4-one
CID 157488210
5-bromo-1H-indole;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;tert-butyl (3S)-3-methyl-4-[1-tri(propan-2-yl)silylindol-5-yl]piperazine-1-carboxylate;5-[(2S)-2-methylpiperazin-1-yl]-1H-indole
CID 157648213
5-bromo-3-(1-methylpyrrolidin-3-yl)-1H-indole;3-(1-methylpyrrolidin-3-yl)-N-[(1R)-1-phenylethyl]-1H-indol-5-amine;(1R)-1-phenylethanamine
CID 157907054
5-bromo-3-(cyclohexen-1-yl)-1H-indole;[5-bromo-3-(cyclohexen-1-yl)indol-1-yl]-tri(propan-2-yl)silane;(5-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine
CID 158475968
5-(2-benzylpiperazin-1-yl)-1H-indole;2-benzylpiperidine;5-bromo-1H-indole;(5-bromoindol-1-yl)-tert-butyl-dimethylsilane;tert-butyl 3-benzyl-4-[1-[tert-butyl(dimethyl)silyl]indol-5-yl]piperazine-1-carboxylate;tert-butyl 3-benzyl-4-(1H-indol-5-yl)piperazine-1-carboxylate
CID 158809701
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1ccc2[nH]ccc2c1.CC(C)[Si](C(C)C)(C(C)C)n1cc(C2=CCN(C)CC2)c2cc(Br)ccc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(C2CCN(C)CC2)c2cc(Br)ccc21.CN1CC=C(c2c[nH]c3ccc(Br)cc23)CC1.CN1CCC(=O)CC1.
What is the InChIKey of 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?
The InChIKey is FECLYVSHHAZNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37BrN2Si.C23H35BrN2Si.C14H15BrN2.C8H6BrN.C6H11NO/c2*1-16(2)27(17(3)4,18(5)6)26-15-22(19-10-12-25(7)13-11-19)21-14-20(24)8-9-23(21)26;1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14;9-7-1-2-8-6(5-7)3-4-10-8;1-7-4-2-6(8)3-5-7/h8-9,14-19H,10-13H2,1-7H3;8-10,14-18H,11-13H2,1-7H3;2-4,8-9,16H,5-7H2,1H3;1-5,10H;2-5H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1497.49 g/mol, XLogP of 21.24, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158004359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).