5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate

C53H59Br3Cl2N10O8S2 — CID 167551515

IUPAC5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(N)C1.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)c(Br)cnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(NC4CC(NC(=O)OC(C)(C)C)C4)c(Br)cnc32)cc1.Clc1c(Br)cnc2[nH]ccc12
InChIInChI=1S/C23H27BrN4O4S.C14H10BrClN2O2S.C9H18N2O2.C7H4BrClN2/c1-14-5-7-17(8-6-14)33(30,31)28-10-9-18-20(19(24)13-25-21(18)28)26-15-11-16(12-15)27-22(29)32-23(2,3)4;1-9-2-4-10(5-3-9)21(19,20)18-7-6-11-13(16)12(15)8-17-14(11)18;1-9(2,3)13-8(12)11-7-4-6(10)5-7;8-5-3-11-7-4(6(5)9)1-2-10-7/h5-10,13,15-16H,11-12H2,1-4H3,(H,25,26)(H,27,29);2-8H,1H3;6-7H,4-5,10H2,1-3H3,(H,11,12);1-3H,(H,10,11)
InChIKeyCLQVXQPBZRROLR-UHFFFAOYSA-N
MW1338.87 g/mol
LogP12.79
Rot. Bonds8

About 5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate

5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate (PubChem CID 167551515) has the molecular formula C53H59Br3Cl2N10O8S2 and a molecular weight of 1338.87 g/mol. Its IUPAC name is 5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate.

Molecular Properties

Compound Name5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate
PubChem CID167551515
Molecular FormulaC53H59Br3Cl2N10O8S2
Molecular Weight1338.87 g/mol
Exact Mass1334.09
IUPAC Name5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(N)C1.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)c(Br)cnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(NC4CC(NC(=O)OC(C)(C)C)C4)c(Br)cnc32)cc1.Clc1c(Br)cnc2[nH]ccc12
InChIInChI=1S/C23H27BrN4O4S.C14H10BrClN2O2S.C9H18N2O2.C7H4BrClN2/c1-14-5-7-17(8-6-14)33(30,31)28-10-9-18-20(19(24)13-25-21(18)28)26-15-11-16(12-15)27-22(29)32-23(2,3)4;1-9-2-4-10(5-3-9)21(19,20)18-7-6-11-13(16)12(15)8-17-14(11)18;1-9(2,3)13-8(12)11-7-4-6(10)5-7;8-5-3-11-7-4(6(5)9)1-2-10-7/h5-10,13,15-16H,11-12H2,1-4H3,(H,25,26)(H,27,29);2-8H,1H3;6-7H,4-5,10H2,1-3H3,(H,11,12);1-3H,(H,10,11)
InChIKeyCLQVXQPBZRROLR-UHFFFAOYSA-N
XLogP12.79
TPSA247.31 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001338.87
LogP ≤ 512.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate with MolForge

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Related Compounds

Tert-butyl 4-[[6-[1-[4-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-chloropyrimidin-2-yl]phenyl]sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 134456990
1-[4-[4-[[4-[4-(aminomethyl)piperidin-1-yl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone;4-[4-(aminomethyl)piperidin-1-yl]-N-(4-piperazin-1-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;1-[4-[4-[[4-[4-(aminomethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;tert-butyl N-[[1-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]methyl]carbamate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
CID 157094459
(3R)-1-benzylpiperidin-3-amine;N-[(3R)-1-benzylpiperidin-3-yl]-5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(4-methylphenyl)sulfonyl-N-[(3R)-piperidin-3-yl]pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;2-cyanoacetic acid;4-methylbenzenesulfonyl chloride
CID 157309649
CID 157538892
CID 157538892
4-aminocyclohexan-1-ol;5-bromo-4-chloro-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrolo[2,3-b]pyridine;5-bromo-4-chloro-2-[(E)-prop-1-enyl]-1H-pyrrolo[2,3-b]pyridine;4-[[5-bromo-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexan-1-ol
CID 157653793
3-bromo-4-methylaniline;tert-butyl N-[4-methyl-3-[1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-yl]phenyl]carbamate;tert-butyl N-(4-methyl-3-piperidin-3-ylphenyl)carbamate;tert-butyl N-(4-methyl-3-pyridin-3-ylphenyl)carbamate;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;1-[4-methyl-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]-3-phenylurea;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 157851185
N-(azetidin-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;tert-butyl 3-aminoazetidine-1-carboxylate;tert-butyl 3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]azetidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]azetidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)azetidin-1-yl]ethanone
CID 158362502
tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidine-1-carboxylate;tert-butyl (3S)-3-(propylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[propyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;7-(4-methylphenyl)sulfonyl-N-[(3S)-piperidin-3-yl]-N-propylpyrrolo[2,3-d]pyrimidin-4-amine
CID 158381914
3-bromo-4-methylaniline;tert-butyl N-[4-methyl-3-[1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-yl]phenyl]carbamate;tert-butyl N-(4-methyl-3-piperidin-3-ylphenyl)carbamate;tert-butyl N-(4-methyl-3-pyridin-3-ylphenyl)carbamate;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;methane;1-[4-methyl-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]-3-phenylurea;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 158670234
tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidine-1-carboxylate;tert-butyl (3S)-3-(propylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[propyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;7-(4-methylphenyl)sulfonyl-N-[(3S)-piperidin-3-yl]-N-propylpyrrolo[2,3-d]pyrimidin-4-amine
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7-(Benzenesulfonyl)-6-bromo-4-chloropyrrolo[2,3-d]pyrimidine;tert-butyl 4-[7-(benzenesulfonyl)-6-bromopyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate
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tert-butyl 3-[[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(trideuteriomethyl)amino]-2,2,3,4,5,5,6,6-octadeuterio-4-(trideuteriomethyl)piperidine-1-carboxylate;tert-butyl 3-[(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(trideuteriomethyl)amino]-2,2,3,4,5,5,6,6-octadeuterio-4-(trideuteriomethyl)piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate?
The IUPAC name of 5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate (CID 167551515) is 5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate.
What is the SMILES notation for 5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate?
The canonical SMILES for 5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(N)C1.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)c(Br)cnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(NC4CC(NC(=O)OC(C)(C)C)C4)c(Br)cnc32)cc1.Clc1c(Br)cnc2[nH]ccc12.
What is the InChIKey of 5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate?
The InChIKey is CLQVXQPBZRROLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN4O4S.C14H10BrClN2O2S.C9H18N2O2.C7H4BrClN2/c1-14-5-7-17(8-6-14)33(30,31)28-10-9-18-20(19(24)13-25-21(18)28)26-15-11-16(12-15)27-22(29)32-23(2,3)4;1-9-2-4-10(5-3-9)21(19,20)18-7-6-11-13(16)12(15)8-17-14(11)18;1-9(2,3)13-8(12)11-7-4-6(10)5-7;8-5-3-11-7-4(6(5)9)1-2-10-7/h5-10,13,15-16H,11-12H2,1-4H3,(H,25,26)(H,27,29);2-8H,1H3;6-7H,4-5,10H2,1-3H3,(H,11,12);1-3H,(H,10,11).
What are the key properties of 5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate?
5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate has a molecular weight of 1338.87 g/mol, XLogP of 12.79, 8 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate is sourced from PubChem (CID 167551515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).