tert-butyl 4-[5-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]indol-1-yl]pyrazine-2-carbonyl]piperazine-1-carboxylate

C34H38Cl2N6O7S — CID 59277392

IUPACtert-butyl 4-[5-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]indol-1-yl]pyrazine-2-carbonyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)CN(c1ccc2c(ccn2-c2cnc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C34H38Cl2N6O7S/c1-33(2,3)48-30(43)21-42(50(46,47)26-17-23(35)16-24(36)18-26)25-7-8-28-22(15-25)9-10-41(28)29-20-37-27(19-38-29)31(44)39-11-13-40(14-12-39)32(45)49-34(4,5)6/h7-10,15-20H,11-14,21H2,1-6H3
InChIKeyFHIGSQLDEKNUET-UHFFFAOYSA-N
MW745.69 g/mol
LogP5.96
Rot. Bonds7

About tert-butyl 4-[5-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]indol-1-yl]pyrazine-2-carbonyl]piperazine-1-carboxylate

tert-butyl 4-[5-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]indol-1-yl]pyrazine-2-carbonyl]piperazine-1-carboxylate (PubChem CID 59277392) has the molecular formula C34H38Cl2N6O7S and a molecular weight of 745.69 g/mol. Its IUPAC name is tert-butyl 4-[5-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]indol-1-yl]pyrazine-2-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]indol-1-yl]pyrazine-2-carbonyl]piperazine-1-carboxylate
PubChem CID59277392
Molecular FormulaC34H38Cl2N6O7S
Molecular Weight745.69 g/mol
Exact Mass744.19
IUPAC Nametert-butyl 4-[5-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]indol-1-yl]pyrazine-2-carbonyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)CN(c1ccc2c(ccn2-c2cnc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C34H38Cl2N6O7S/c1-33(2,3)48-30(43)21-42(50(46,47)26-17-23(35)16-24(36)18-26)25-7-8-28-22(15-25)9-10-41(28)29-20-37-27(19-38-29)31(44)39-11-13-40(14-12-39)32(45)49-34(4,5)6/h7-10,15-20H,11-14,21H2,1-6H3
InChIKeyFHIGSQLDEKNUET-UHFFFAOYSA-N
XLogP5.96
TPSA144.24 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.69
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze tert-butyl 4-[5-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]indol-1-yl]pyrazine-2-carbonyl]piperazine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[6-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]indol-1-yl]pyrazin-2-yl]piperazine-1-carboxylate
CID 59277456
2-[(3,5-dichlorophenyl)sulfonyl-[1-[5-(piperazine-1-carbonyl)pyrazin-2-yl]indol-5-yl]amino]acetic acid;hydrochloride
CID 68585637
tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-[4-(morpholine-4-carbonyl)-2-pyridinyl]indol-5-yl]amino]acetate
CID 59276939
tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(1-methylpyrazol-4-yl)indol-5-yl]amino]acetate
CID 59276783
tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-[5-(trifluoromethyl)pyridazin-3-yl]indol-5-yl]amino]acetate
CID 59277006
tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(6-oxo-1H-pyridazin-3-yl)indol-5-yl]amino]acetate
CID 59276804
tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(4-morpholin-4-yl-2-pyridinyl)indol-5-yl]amino]acetate
CID 59277353
tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(4-methylsulfinyl-2-pyridinyl)indol-5-yl]amino]acetate
CID 59277114
tert-butyl 2-[[1-(5-acetylthiophen-2-yl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetate
CID 59277345
tert-butyl 2-[[1-[6-[(2-amino-2-methylpropyl)amino]pyridazin-3-yl]indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetate
CID 59276923
tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-[6-(2-methylprop-2-enylamino)pyridazin-3-yl]indol-5-yl]amino]acetate
CID 89248781
tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-[6-(2,3-dihydroxypropoxy)pyridazin-3-yl]indol-5-yl]amino]acetate
CID 59277403

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]indol-1-yl]pyrazine-2-carbonyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]indol-1-yl]pyrazine-2-carbonyl]piperazine-1-carboxylate (CID 59277392) is tert-butyl 4-[5-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]indol-1-yl]pyrazine-2-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]indol-1-yl]pyrazine-2-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]indol-1-yl]pyrazine-2-carbonyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)CN(c1ccc2c(ccn2-c2cnc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of tert-butyl 4-[5-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]indol-1-yl]pyrazine-2-carbonyl]piperazine-1-carboxylate?
The InChIKey is FHIGSQLDEKNUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38Cl2N6O7S/c1-33(2,3)48-30(43)21-42(50(46,47)26-17-23(35)16-24(36)18-26)25-7-8-28-22(15-25)9-10-41(28)29-20-37-27(19-38-29)31(44)39-11-13-40(14-12-39)32(45)49-34(4,5)6/h7-10,15-20H,11-14,21H2,1-6H3.
What are the key properties of tert-butyl 4-[5-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]indol-1-yl]pyrazine-2-carbonyl]piperazine-1-carboxylate?
tert-butyl 4-[5-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]indol-1-yl]pyrazine-2-carbonyl]piperazine-1-carboxylate has a molecular weight of 745.69 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]indol-1-yl]pyrazine-2-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 59277392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).