6-bromo-3-(2-chloro-5-methylpyrimidin-4-yl)-1-phenylindole;tert-butyl (3S,4S)-3-amino-4-methylpiperidine-1-carboxylate;tert-butyl (3S,4S)-3-[[4-(6-bromo-1-phenylindol-3-yl)-5-methylpyrimidin-2-yl]amino]-4-methylpiperidine-1-carboxylate;bis(sulfur dioxide)

C60H69Br2ClN10O8S2 — CID 163999689

IUPAC6-bromo-3-(2-chloro-5-methylpyrimidin-4-yl)-1-phenylindole;tert-butyl (3S,4S)-3-amino-4-methylpiperidine-1-carboxylate;tert-butyl (3S,4S)-3-[[4-(6-bromo-1-phenylindol-3-yl)-5-methylpyrimidin-2-yl]amino]-4-methylpiperidine-1-carboxylate;bis(sulfur dioxide)
SMILESC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N.Cc1cnc(Cl)nc1-c1cn(-c2ccccc2)c2cc(Br)ccc12.Cc1cnc(N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)nc1-c1cn(-c2ccccc2)c2cc(Br)ccc12.O=S=O.O=S=O
InChIInChI=1S/C30H34BrN5O2.C19H13BrClN3.C11H22N2O2.2O2S/c1-19-13-14-35(29(37)38-30(3,4)5)18-25(19)33-28-32-16-20(2)27(34-28)24-17-36(22-9-7-6-8-10-22)26-15-21(31)11-12-23(24)26;1-12-10-22-19(21)23-18(12)16-11-24(14-5-3-2-4-6-14)17-9-13(20)7-8-15(16)17;1-8-5-6-13(7-9(8)12)10(14)15-11(2,3)4;2*1-3-2/h6-12,15-17,19,25H,13-14,18H2,1-5H3,(H,32,33,34);2-11H,1H3;8-9H,5-7,12H2,1-4H3;;/t19-,25+;;8-,9+;;/m0.0../s1
InChIKeyUHWDDSFJPLPYOR-QGIZOEDCSA-N
MW1317.67 g/mol
LogP13.28
Rot. Bonds6

About 6-bromo-3-(2-chloro-5-methylpyrimidin-4-yl)-1-phenylindole;tert-butyl (3S,4S)-3-amino-4-methylpiperidine-1-carboxylate;tert-butyl (3S,4S)-3-[[4-(6-bromo-1-phenylindol-3-yl)-5-methylpyrimidin-2-yl]amino]-4-methylpiperidine-1-carboxylate;bis(sulfur dioxide)

6-bromo-3-(2-chloro-5-methylpyrimidin-4-yl)-1-phenylindole;tert-butyl (3S,4S)-3-amino-4-methylpiperidine-1-carboxylate;tert-butyl (3S,4S)-3-[[4-(6-bromo-1-phenylindol-3-yl)-5-methylpyrimidin-2-yl]amino]-4-methylpiperidine-1-carboxylate;bis(sulfur dioxide) (PubChem CID 163999689) has the molecular formula C60H69Br2ClN10O8S2 and a molecular weight of 1317.67 g/mol. Its IUPAC name is 6-bromo-3-(2-chloro-5-methylpyrimidin-4-yl)-1-phenylindole;tert-butyl (3S,4S)-3-amino-4-methylpiperidine-1-carboxylate;tert-butyl (3S,4S)-3-[[4-(6-bromo-1-phenylindol-3-yl)-5-methylpyrimidin-2-yl]amino]-4-methylpiperidine-1-carboxylate;bis(sulfur dioxide).

Molecular Properties

Compound Name6-bromo-3-(2-chloro-5-methylpyrimidin-4-yl)-1-phenylindole;tert-butyl (3S,4S)-3-amino-4-methylpiperidine-1-carboxylate;tert-butyl (3S,4S)-3-[[4-(6-bromo-1-phenylindol-3-yl)-5-methylpyrimidin-2-yl]amino]-4-methylpiperidine-1-carboxylate;bis(sulfur dioxide)
PubChem CID163999689
Molecular FormulaC60H69Br2ClN10O8S2
Molecular Weight1317.67 g/mol
Exact Mass1314.28
IUPAC Name6-bromo-3-(2-chloro-5-methylpyrimidin-4-yl)-1-phenylindole;tert-butyl (3S,4S)-3-amino-4-methylpiperidine-1-carboxylate;tert-butyl (3S,4S)-3-[[4-(6-bromo-1-phenylindol-3-yl)-5-methylpyrimidin-2-yl]amino]-4-methylpiperidine-1-carboxylate;bis(sulfur dioxide)
SMILESC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N.Cc1cnc(Cl)nc1-c1cn(-c2ccccc2)c2cc(Br)ccc12.Cc1cnc(N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)nc1-c1cn(-c2ccccc2)c2cc(Br)ccc12.O=S=O.O=S=O
InChIInChI=1S/C30H34BrN5O2.C19H13BrClN3.C11H22N2O2.2O2S/c1-19-13-14-35(29(37)38-30(3,4)5)18-25(19)33-28-32-16-20(2)27(34-28)24-17-36(22-9-7-6-8-10-22)26-15-21(31)11-12-23(24)26;1-12-10-22-19(21)23-18(12)16-11-24(14-5-3-2-4-6-14)17-9-13(20)7-8-15(16)17;1-8-5-6-13(7-9(8)12)10(14)15-11(2,3)4;2*1-3-2/h6-12,15-17,19,25H,13-14,18H2,1-5H3,(H,32,33,34);2-11H,1H3;8-9H,5-7,12H2,1-4H3;;/t19-,25+;;8-,9+;;/m0.0../s1
InChIKeyUHWDDSFJPLPYOR-QGIZOEDCSA-N
XLogP13.28
TPSA226.83 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001317.67
LogP ≤ 513.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 6-bromo-3-(2-chloro-5-methylpyrimidin-4-yl)-1-phenylindole;tert-butyl (3S,4S)-3-amino-4-methylpiperidine-1-carboxylate;tert-butyl (3S,4S)-3-[[4-(6-bromo-1-phenylindol-3-yl)-5-methylpyrimidin-2-yl]amino]-4-methylpiperidine-1-carboxylate;bis(sulfur dioxide) with MolForge

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Related Compounds

tert-butyl (3S)-3-[[4-(6-bromo-1-phenylindol-3-yl)-5-methylpyrimidin-2-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[5-methyl-4-[1-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-3-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;bis(sulfur dioxide)
CID 163637537
tert-butyl (3S)-3-[[4-(6-bromo-1-phenylindol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 162491522
tert-butyl (3S)-3-[[5-chloro-4-(1-phenylindol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 167376040
4-(6-bromo-1-phenylindol-3-yl)-N-[(3S)-6,6-dimethylpiperidin-3-yl]-5-methylpyrimidin-2-amine
CID 163581125
1-(benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)indole;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-[1-(benzenesulfonyl)indol-3-yl]-5-chloropyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 161294485
tert-butyl N-[(1S,2S)-2-aminocyclobutyl]carbamate;tert-butyl N-[(1S,2S)-2-[[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenylpyrrolo[2,3-b]pyridin-3-yl]-5-methylpyrimidin-2-yl]amino]cyclobutyl]carbamate;3,5-dimethyl-4-[3-(5-methyl-2-methylsulfonylpyrimidin-4-yl)-1-phenylpyrrolo[2,3-b]pyridin-6-yl]-1,2-oxazole;bis(sulfur dioxide)
CID 163866100
tert-butyl (3S)-3-[[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenylpyrrolo[2,3-b]pyridin-3-yl]-5-methylpyrimidin-2-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyrimidin-2-yl]amino]piperidine-1-carboxylate;sulfur dioxide
CID 163561932
tert-butyl (3S)-3-[[4-(1-phenylindol-3-yl)-5-(2-trimethylsilylethynyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 167376042
tert-butyl 3-[[4-[1-(benzenesulfonyl)indol-3-yl]-5-chloropyrimidin-2-yl]amino]pyrrolidine-1-carboxylate
CID 118025515
tert-butyl N-[(1S,2S)-2-[[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenylpyrrolo[2,3-b]pyridin-3-yl]-5-methylpyrimidin-2-yl]amino]cyclobutyl]carbamate
CID 163866101
3-(2,5-dichloropyrimidin-4-yl)-1-phenylindole;methyliminophosphane;bis(sulfur dioxide);trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[5-chloro-4-(1-phenylindol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol;hydrochloride
CID 161047414
tert-butyl (5S)-3,3-dimethyl-5-[[5-methyl-4-[1-phenyl-6-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;tert-butyl (5S)-3,3-dimethyl-5-[[5-methyl-4-[6-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;sulfur dioxide
CID 163990129

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2-chloro-5-methylpyrimidin-4-yl)-1-phenylindole;tert-butyl (3S,4S)-3-amino-4-methylpiperidine-1-carboxylate;tert-butyl (3S,4S)-3-[[4-(6-bromo-1-phenylindol-3-yl)-5-methylpyrimidin-2-yl]amino]-4-methylpiperidine-1-carboxylate;bis(sulfur dioxide)?
The IUPAC name of 6-bromo-3-(2-chloro-5-methylpyrimidin-4-yl)-1-phenylindole;tert-butyl (3S,4S)-3-amino-4-methylpiperidine-1-carboxylate;tert-butyl (3S,4S)-3-[[4-(6-bromo-1-phenylindol-3-yl)-5-methylpyrimidin-2-yl]amino]-4-methylpiperidine-1-carboxylate;bis(sulfur dioxide) (CID 163999689) is 6-bromo-3-(2-chloro-5-methylpyrimidin-4-yl)-1-phenylindole;tert-butyl (3S,4S)-3-amino-4-methylpiperidine-1-carboxylate;tert-butyl (3S,4S)-3-[[4-(6-bromo-1-phenylindol-3-yl)-5-methylpyrimidin-2-yl]amino]-4-methylpiperidine-1-carboxylate;bis(sulfur dioxide).
What is the SMILES notation for 6-bromo-3-(2-chloro-5-methylpyrimidin-4-yl)-1-phenylindole;tert-butyl (3S,4S)-3-amino-4-methylpiperidine-1-carboxylate;tert-butyl (3S,4S)-3-[[4-(6-bromo-1-phenylindol-3-yl)-5-methylpyrimidin-2-yl]amino]-4-methylpiperidine-1-carboxylate;bis(sulfur dioxide)?
The canonical SMILES for 6-bromo-3-(2-chloro-5-methylpyrimidin-4-yl)-1-phenylindole;tert-butyl (3S,4S)-3-amino-4-methylpiperidine-1-carboxylate;tert-butyl (3S,4S)-3-[[4-(6-bromo-1-phenylindol-3-yl)-5-methylpyrimidin-2-yl]amino]-4-methylpiperidine-1-carboxylate;bis(sulfur dioxide) is C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N.Cc1cnc(Cl)nc1-c1cn(-c2ccccc2)c2cc(Br)ccc12.Cc1cnc(N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)nc1-c1cn(-c2ccccc2)c2cc(Br)ccc12.O=S=O.O=S=O.
What is the InChIKey of 6-bromo-3-(2-chloro-5-methylpyrimidin-4-yl)-1-phenylindole;tert-butyl (3S,4S)-3-amino-4-methylpiperidine-1-carboxylate;tert-butyl (3S,4S)-3-[[4-(6-bromo-1-phenylindol-3-yl)-5-methylpyrimidin-2-yl]amino]-4-methylpiperidine-1-carboxylate;bis(sulfur dioxide)?
The InChIKey is UHWDDSFJPLPYOR-QGIZOEDCSA-N. The full InChI is InChI=1S/C30H34BrN5O2.C19H13BrClN3.C11H22N2O2.2O2S/c1-19-13-14-35(29(37)38-30(3,4)5)18-25(19)33-28-32-16-20(2)27(34-28)24-17-36(22-9-7-6-8-10-22)26-15-21(31)11-12-23(24)26;1-12-10-22-19(21)23-18(12)16-11-24(14-5-3-2-4-6-14)17-9-13(20)7-8-15(16)17;1-8-5-6-13(7-9(8)12)10(14)15-11(2,3)4;2*1-3-2/h6-12,15-17,19,25H,13-14,18H2,1-5H3,(H,32,33,34);2-11H,1H3;8-9H,5-7,12H2,1-4H3;;/t19-,25+;;8-,9+;;/m0.0../s1.
What are the key properties of 6-bromo-3-(2-chloro-5-methylpyrimidin-4-yl)-1-phenylindole;tert-butyl (3S,4S)-3-amino-4-methylpiperidine-1-carboxylate;tert-butyl (3S,4S)-3-[[4-(6-bromo-1-phenylindol-3-yl)-5-methylpyrimidin-2-yl]amino]-4-methylpiperidine-1-carboxylate;bis(sulfur dioxide)?
6-bromo-3-(2-chloro-5-methylpyrimidin-4-yl)-1-phenylindole;tert-butyl (3S,4S)-3-amino-4-methylpiperidine-1-carboxylate;tert-butyl (3S,4S)-3-[[4-(6-bromo-1-phenylindol-3-yl)-5-methylpyrimidin-2-yl]amino]-4-methylpiperidine-1-carboxylate;bis(sulfur dioxide) has a molecular weight of 1317.67 g/mol, XLogP of 13.28, 6 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2-chloro-5-methylpyrimidin-4-yl)-1-phenylindole;tert-butyl (3S,4S)-3-amino-4-methylpiperidine-1-carboxylate;tert-butyl (3S,4S)-3-[[4-(6-bromo-1-phenylindol-3-yl)-5-methylpyrimidin-2-yl]amino]-4-methylpiperidine-1-carboxylate;bis(sulfur dioxide) is sourced from PubChem (CID 163999689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).