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

C22H23N7O4S — CID 19466518

IUPACpropyl 5-carbamoyl-2-[[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4-methylthiophene-3-carboxylate
SMILESCCCOC(=O)c1c(NC(=O)c2cc3nccc(-c4cnn(C)c4C)n3n2)sc(C(N)=O)c1C
InChIInChI=1S/C22H23N7O4S/c1-5-8-33-22(32)17-11(2)18(19(23)30)34-21(17)26-20(31)14-9-16-24-7-6-15(29(16)27-14)13-10-25-28(4)12(13)3/h6-7,9-10H,5,8H2,1-4H3,(H2,23,30)(H,26,31)
InChIKeyAGFSVLBPNYCYLA-UHFFFAOYSA-N
MW481.54 g/mol
LogP2.73
Rot. Bonds7

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

propyl 5-carbamoyl-2-[[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4-methylthiophene-3-carboxylate (PubChem CID 19466518) has the molecular formula C22H23N7O4S and a molecular weight of 481.54 g/mol. Its IUPAC name is propyl 5-carbamoyl-2-[[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namepropyl 5-carbamoyl-2-[[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4-methylthiophene-3-carboxylate
PubChem CID19466518
Molecular FormulaC22H23N7O4S
Molecular Weight481.54 g/mol
Exact Mass481.15
IUPAC Namepropyl 5-carbamoyl-2-[[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4-methylthiophene-3-carboxylate
SMILESCCCOC(=O)c1c(NC(=O)c2cc3nccc(-c4cnn(C)c4C)n3n2)sc(C(N)=O)c1C
InChIInChI=1S/C22H23N7O4S/c1-5-8-33-22(32)17-11(2)18(19(23)30)34-21(17)26-20(31)14-9-16-24-7-6-15(29(16)27-14)13-10-25-28(4)12(13)3/h6-7,9-10H,5,8H2,1-4H3,(H2,23,30)(H,26,31)
InChIKeyAGFSVLBPNYCYLA-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

propyl 5-carbamoyl-2-[[7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4-methylthiophene-3-carboxylate
CID 19468714
2-O-methyl 4-O-propyl 5-[[7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 19468716
propyl 5-carbamoyl-2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-methylthiophene-3-carboxylate
CID 19279603
N-butan-2-yl-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466570
ethyl 5-[[7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 19414384
6-(difluoromethyl)-3-[[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19468339
propyl 5-carbamoyl-2-[[1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]-4-methylthiophene-3-carboxylate
CID 19272791
7-(1,5-dimethylpyrazol-4-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466483
ethyl 3-[(5-carbamoyl-3-methoxycarbonyl-4-methylthiophen-2-yl)carbamoyl]-1-methylpyrazole-5-carboxylate
CID 19267042
propyl 2-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 19264216
propyl 5-carbamoyl-2-[[1-[(2-chloro-5-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-4-methylthiophene-3-carboxylate
CID 19275578
propyl 5-carbamoyl-2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-methylthiophene-3-carboxylate
CID 19440620

Frequently Asked Questions

What is the IUPAC name of propyl 5-carbamoyl-2-[[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4-methylthiophene-3-carboxylate?
The IUPAC name of propyl 5-carbamoyl-2-[[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4-methylthiophene-3-carboxylate (CID 19466518) is propyl 5-carbamoyl-2-[[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4-methylthiophene-3-carboxylate.
What is the SMILES notation for propyl 5-carbamoyl-2-[[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4-methylthiophene-3-carboxylate?
The canonical SMILES for propyl 5-carbamoyl-2-[[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4-methylthiophene-3-carboxylate is CCCOC(=O)c1c(NC(=O)c2cc3nccc(-c4cnn(C)c4C)n3n2)sc(C(N)=O)c1C.
What is the InChIKey of propyl 5-carbamoyl-2-[[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4-methylthiophene-3-carboxylate?
The InChIKey is AGFSVLBPNYCYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O4S/c1-5-8-33-22(32)17-11(2)18(19(23)30)34-21(17)26-20(31)14-9-16-24-7-6-15(29(16)27-14)13-10-25-28(4)12(13)3/h6-7,9-10H,5,8H2,1-4H3,(H2,23,30)(H,26,31).
What are the key properties of propyl 5-carbamoyl-2-[[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4-methylthiophene-3-carboxylate?
propyl 5-carbamoyl-2-[[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4-methylthiophene-3-carboxylate has a molecular weight of 481.54 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-carbamoyl-2-[[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 19466518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).