tert-butyl 5-[8-[[5-(ethylsulfamoyl)-4-methylthiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C27H34N8O4S2 — CID 58873865

IUPACtert-butyl 5-[8-[[5-(ethylsulfamoyl)-4-methylthiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCNS(=O)(=O)c1sc(Nc2nc(C3=CCCN(C(=O)OC(C)(C)C)C3)cn3c(-c4cnn(C)c4)cnc23)cc1C
InChIInChI=1S/C27H34N8O4S2/c1-7-30-41(37,38)25-17(2)11-22(40-25)32-23-24-28-13-21(19-12-29-33(6)14-19)35(24)16-20(31-23)18-9-8-10-34(15-18)26(36)39-27(3,4)5/h9,11-14,16,30H,7-8,10,15H2,1-6H3,(H,31,32)
InChIKeyRTXIBWMQYSIQJY-UHFFFAOYSA-N
MW598.76 g/mol
LogP4.57
Rot. Bonds7

About tert-butyl 5-[8-[[5-(ethylsulfamoyl)-4-methylthiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 5-[8-[[5-(ethylsulfamoyl)-4-methylthiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 58873865) has the molecular formula C27H34N8O4S2 and a molecular weight of 598.76 g/mol. Its IUPAC name is tert-butyl 5-[8-[[5-(ethylsulfamoyl)-4-methylthiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[8-[[5-(ethylsulfamoyl)-4-methylthiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID58873865
Molecular FormulaC27H34N8O4S2
Molecular Weight598.76 g/mol
Exact Mass598.21
IUPAC Nametert-butyl 5-[8-[[5-(ethylsulfamoyl)-4-methylthiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCNS(=O)(=O)c1sc(Nc2nc(C3=CCCN(C(=O)OC(C)(C)C)C3)cn3c(-c4cnn(C)c4)cnc23)cc1C
InChIInChI=1S/C27H34N8O4S2/c1-7-30-41(37,38)25-17(2)11-22(40-25)32-23-24-28-13-21(19-12-29-33(6)14-19)35(24)16-20(31-23)18-9-8-10-34(15-18)26(36)39-27(3,4)5/h9,11-14,16,30H,7-8,10,15H2,1-6H3,(H,31,32)
InChIKeyRTXIBWMQYSIQJY-UHFFFAOYSA-N
XLogP4.57
TPSA135.75 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.76
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze tert-butyl 5-[8-[[5-(ethylsulfamoyl)-4-methylthiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[8-[[5-(ethylsulfamoyl)-4-methylthiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 5-[8-[[5-(ethylsulfamoyl)-4-methylthiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 58873865) is tert-butyl 5-[8-[[5-(ethylsulfamoyl)-4-methylthiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-[8-[[5-(ethylsulfamoyl)-4-methylthiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 5-[8-[[5-(ethylsulfamoyl)-4-methylthiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is CCNS(=O)(=O)c1sc(Nc2nc(C3=CCCN(C(=O)OC(C)(C)C)C3)cn3c(-c4cnn(C)c4)cnc23)cc1C.
What is the InChIKey of tert-butyl 5-[8-[[5-(ethylsulfamoyl)-4-methylthiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is RTXIBWMQYSIQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N8O4S2/c1-7-30-41(37,38)25-17(2)11-22(40-25)32-23-24-28-13-21(19-12-29-33(6)14-19)35(24)16-20(31-23)18-9-8-10-34(15-18)26(36)39-27(3,4)5/h9,11-14,16,30H,7-8,10,15H2,1-6H3,(H,31,32).
What are the key properties of tert-butyl 5-[8-[[5-(ethylsulfamoyl)-4-methylthiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 5-[8-[[5-(ethylsulfamoyl)-4-methylthiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 598.76 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[8-[[5-(ethylsulfamoyl)-4-methylthiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 58873865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).