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

C19H21N5O4S — CID 19440620

IUPACpropyl 5-carbamoyl-2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-methylthiophene-3-carboxylate
SMILESCCCOC(=O)c1c(NC(=O)c2cnn3c(C)cc(C)nc23)sc(C(N)=O)c1C
InChIInChI=1S/C19H21N5O4S/c1-5-6-28-19(27)13-11(4)14(15(20)25)29-18(13)23-17(26)12-8-21-24-10(3)7-9(2)22-16(12)24/h7-8H,5-6H2,1-4H3,(H2,20,25)(H,23,26)
InChIKeyOUCJAWVGSVKODW-UHFFFAOYSA-N
MW415.48 g/mol
LogP2.63
Rot. Bonds6

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

propyl 5-carbamoyl-2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-methylthiophene-3-carboxylate (PubChem CID 19440620) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is propyl 5-carbamoyl-2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namepropyl 5-carbamoyl-2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-methylthiophene-3-carboxylate
PubChem CID19440620
Molecular FormulaC19H21N5O4S
Molecular Weight415.48 g/mol
Exact Mass415.13
IUPAC Namepropyl 5-carbamoyl-2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-methylthiophene-3-carboxylate
SMILESCCCOC(=O)c1c(NC(=O)c2cnn3c(C)cc(C)nc23)sc(C(N)=O)c1C
InChIInChI=1S/C19H21N5O4S/c1-5-6-28-19(27)13-11(4)14(15(20)25)29-18(13)23-17(26)12-8-21-24-10(3)7-9(2)22-16(12)24/h7-8H,5-6H2,1-4H3,(H2,20,25)(H,23,26)
InChIKeyOUCJAWVGSVKODW-UHFFFAOYSA-N
XLogP2.63
TPSA128.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze propyl 5-carbamoyl-2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-methylthiophene-3-carboxylate with MolForge

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Related Compounds

2-O-ethyl 4-O-propyl 5-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 19440621
ethyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19440605
propyl 5-carbamoyl-2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-methylthiophene-3-carboxylate
CID 19279603
ethyl 5-carbamoyl-4-methyl-2-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thiophene-3-carboxylate
CID 19416686
ethyl 5-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19440794
propyl 2-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 19564622
ethyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoate
CID 47494468
methyl 5-carbamoyl-2-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-methylthiophene-3-carboxylate
CID 19449651
N-(2-methoxyethoxy)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 79676509
2-O-methyl 4-O-propyl 3-methyl-5-[(1-methylpyrazole-4-carbonyl)amino]thiophene-2,4-dicarboxylate
CID 19474527
ethyl 5-carbamoyl-2-[[2-[(5-carbamoyl-3-ethoxycarbonyl-4-methylthiophen-2-yl)carbamoyl]benzoyl]amino]-4-methylthiophene-3-carboxylate
CID 5142902
2-[1-[(5-carbamoyl-4-methyl-3-propoxycarbonylthiophen-2-yl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19487978

Frequently Asked Questions

What is the IUPAC name of propyl 5-carbamoyl-2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-methylthiophene-3-carboxylate?
The IUPAC name of propyl 5-carbamoyl-2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-methylthiophene-3-carboxylate (CID 19440620) is propyl 5-carbamoyl-2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-methylthiophene-3-carboxylate.
What is the SMILES notation for propyl 5-carbamoyl-2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-methylthiophene-3-carboxylate?
The canonical SMILES for propyl 5-carbamoyl-2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-methylthiophene-3-carboxylate is CCCOC(=O)c1c(NC(=O)c2cnn3c(C)cc(C)nc23)sc(C(N)=O)c1C.
What is the InChIKey of propyl 5-carbamoyl-2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-methylthiophene-3-carboxylate?
The InChIKey is OUCJAWVGSVKODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4S/c1-5-6-28-19(27)13-11(4)14(15(20)25)29-18(13)23-17(26)12-8-21-24-10(3)7-9(2)22-16(12)24/h7-8H,5-6H2,1-4H3,(H2,20,25)(H,23,26).
What are the key properties of propyl 5-carbamoyl-2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-methylthiophene-3-carboxylate?
propyl 5-carbamoyl-2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-methylthiophene-3-carboxylate has a molecular weight of 415.48 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-carbamoyl-2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 19440620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).