benzyl N-[2-[8-[[5-(dimethylsulfamoyl)thiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate

C26H28N8O4S2 — CID 58873997

IUPACbenzyl N-[2-[8-[[5-(dimethylsulfamoyl)thiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate
SMILESCN(C)S(=O)(=O)c1ccc(Nc2nc(CCNC(=O)OCc3ccccc3)cn3c(-c4cnn(C)c4)cnc23)s1
InChIInChI=1S/C26H28N8O4S2/c1-32(2)40(36,37)23-10-9-22(39-23)31-24-25-28-14-21(19-13-29-33(3)15-19)34(25)16-20(30-24)11-12-27-26(35)38-17-18-7-5-4-6-8-18/h4-10,13-16H,11-12,17H2,1-3H3,(H,27,35)(H,30,31)
InChIKeyIDXJJVPGVUULJZ-UHFFFAOYSA-N
MW580.70 g/mol
LogP3.65
Rot. Bonds10

About benzyl N-[2-[8-[[5-(dimethylsulfamoyl)thiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate

benzyl N-[2-[8-[[5-(dimethylsulfamoyl)thiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate (PubChem CID 58873997) has the molecular formula C26H28N8O4S2 and a molecular weight of 580.70 g/mol. Its IUPAC name is benzyl N-[2-[8-[[5-(dimethylsulfamoyl)thiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[8-[[5-(dimethylsulfamoyl)thiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate
PubChem CID58873997
Molecular FormulaC26H28N8O4S2
Molecular Weight580.70 g/mol
Exact Mass580.17
IUPAC Namebenzyl N-[2-[8-[[5-(dimethylsulfamoyl)thiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate
SMILESCN(C)S(=O)(=O)c1ccc(Nc2nc(CCNC(=O)OCc3ccccc3)cn3c(-c4cnn(C)c4)cnc23)s1
InChIInChI=1S/C26H28N8O4S2/c1-32(2)40(36,37)23-10-9-22(39-23)31-24-25-28-14-21(19-13-29-33(3)15-19)34(25)16-20(30-24)11-12-27-26(35)38-17-18-7-5-4-6-8-18/h4-10,13-16H,11-12,17H2,1-3H3,(H,27,35)(H,30,31)
InChIKeyIDXJJVPGVUULJZ-UHFFFAOYSA-N
XLogP3.65
TPSA135.75 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.70
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Related Compounds

CID 59503494
CID 59503494
CID 59503624
CID 59503624
CID 176375599
CID 176375599
CID 57803150
CID 57803150
CID 57803185
CID 57803185
CID 57803204
CID 57803204
CID 57803210
CID 57803210
CID 58169376
CID 58169376
CID 58169479
CID 58169479
CID 58873835
CID 58873835
CID 58873839
CID 58873839
CID 58873865
CID 58873865

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[8-[[5-(dimethylsulfamoyl)thiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[8-[[5-(dimethylsulfamoyl)thiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate (CID 58873997) is benzyl N-[2-[8-[[5-(dimethylsulfamoyl)thiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[8-[[5-(dimethylsulfamoyl)thiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[8-[[5-(dimethylsulfamoyl)thiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate is CN(C)S(=O)(=O)c1ccc(Nc2nc(CCNC(=O)OCc3ccccc3)cn3c(-c4cnn(C)c4)cnc23)s1.
What is the InChIKey of benzyl N-[2-[8-[[5-(dimethylsulfamoyl)thiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate?
The InChIKey is IDXJJVPGVUULJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O4S2/c1-32(2)40(36,37)23-10-9-22(39-23)31-24-25-28-14-21(19-13-29-33(3)15-19)34(25)16-20(30-24)11-12-27-26(35)38-17-18-7-5-4-6-8-18/h4-10,13-16H,11-12,17H2,1-3H3,(H,27,35)(H,30,31).
What are the key properties of benzyl N-[2-[8-[[5-(dimethylsulfamoyl)thiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate?
benzyl N-[2-[8-[[5-(dimethylsulfamoyl)thiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate has a molecular weight of 580.70 g/mol, XLogP of 3.65, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[8-[[5-(dimethylsulfamoyl)thiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate is sourced from PubChem (CID 58873997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).