ethyl 5-carbamoyl-2-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-methylthiophene-3-carboxylate

C22H23N7O4S — CID 19414801

IUPACethyl 5-carbamoyl-2-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cnn3c(-c4cn(CC)nc4C)ccnc23)sc(C(N)=O)c1C
InChIInChI=1S/C22H23N7O4S/c1-5-28-10-14(12(4)27-28)15-7-8-24-19-13(9-25-29(15)19)20(31)26-21-16(22(32)33-6-2)11(3)17(34-21)18(23)30/h7-10H,5-6H2,1-4H3,(H2,23,30)(H,26,31)
InChIKeyZTYHCELPJKJAIJ-UHFFFAOYSA-N
MW481.54 g/mol
LogP2.82
Rot. Bonds7

About ethyl 5-carbamoyl-2-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-methylthiophene-3-carboxylate

ethyl 5-carbamoyl-2-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-methylthiophene-3-carboxylate (PubChem CID 19414801) has the molecular formula C22H23N7O4S and a molecular weight of 481.54 g/mol. Its IUPAC name is ethyl 5-carbamoyl-2-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-carbamoyl-2-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-methylthiophene-3-carboxylate
PubChem CID19414801
Molecular FormulaC22H23N7O4S
Molecular Weight481.54 g/mol
Exact Mass481.15
IUPAC Nameethyl 5-carbamoyl-2-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cnn3c(-c4cn(CC)nc4C)ccnc23)sc(C(N)=O)c1C
InChIInChI=1S/C22H23N7O4S/c1-5-28-10-14(12(4)27-28)15-7-8-24-19-13(9-25-29(15)19)20(31)26-21-16(22(32)33-6-2)11(3)17(34-21)18(23)30/h7-10H,5-6H2,1-4H3,(H2,23,30)(H,26,31)
InChIKeyZTYHCELPJKJAIJ-UHFFFAOYSA-N
XLogP2.82
TPSA146.50 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.54
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze ethyl 5-carbamoyl-2-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-methylthiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 5-carbamoyl-4-methyl-2-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thiophene-3-carboxylate
CID 19416686
2-O-ethyl 4-O-methyl 3-methyl-5-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]thiophene-2,4-dicarboxylate
CID 19440402
N-ethyl-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416589
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(methoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416584
6-(difluoromethyl)-3-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19416475
7-(1-ethyl-3-methylpyrazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416425
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416566
3-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19416556
4-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]butanoyl chloride
CID 19414820
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416561
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414772
N-[3-(4-chloropyrazol-1-yl)propyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416544

Frequently Asked Questions

What is the IUPAC name of ethyl 5-carbamoyl-2-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 5-carbamoyl-2-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-methylthiophene-3-carboxylate (CID 19414801) is ethyl 5-carbamoyl-2-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-carbamoyl-2-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 5-carbamoyl-2-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-methylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)c2cnn3c(-c4cn(CC)nc4C)ccnc23)sc(C(N)=O)c1C.
What is the InChIKey of ethyl 5-carbamoyl-2-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-methylthiophene-3-carboxylate?
The InChIKey is ZTYHCELPJKJAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O4S/c1-5-28-10-14(12(4)27-28)15-7-8-24-19-13(9-25-29(15)19)20(31)26-21-16(22(32)33-6-2)11(3)17(34-21)18(23)30/h7-10H,5-6H2,1-4H3,(H2,23,30)(H,26,31).
What are the key properties of ethyl 5-carbamoyl-2-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-methylthiophene-3-carboxylate?
ethyl 5-carbamoyl-2-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-methylthiophene-3-carboxylate has a molecular weight of 481.54 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-carbamoyl-2-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 19414801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).