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

C24H26N6O5S — CID 19468716

About 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

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 (PubChem CID 19468716) has the molecular formula C24H26N6O5S and a molecular weight of 510.58 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 19468716
• Molecular Formula: C24H26N6O5S
• Molecular Weight: 510.58 g/mol
• Exact Mass: 510.17
• IUPAC Name: 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
• SMILES: CCCOC(=O)c1c(NC(=O)c2cc3nccc(-c4cnn(CC)c4C)n3n2)sc(C(=O)OC)c1C
• InChI: InChI=1S/C24H26N6O5S/c1-6-10-35-23(32)19-13(3)20(24(33)34-5)36-22(19)27-21(31)16-11-18-25-9-8-17(30(18)28-16)15-12-26-29(7-2)14(15)4/h8-9,11-12H,6-7,10H2,1-5H3,(H,27,31)
• InChIKey: JSSKYUZEINBTCA-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 129.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.58
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCCOC(=O)c1c(NC(=O)c2cc3nccc(-c4cnn(CC)c4C)n3n2)sc(C(=O)OC)c1C.

What is the InChIKey of 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?

The InChIKey is JSSKYUZEINBTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O5S/c1-6-10-35-23(32)19-13(3)20(24(33)34-5)36-22(19)27-21(31)16-11-18-25-9-8-17(30(18)28-16)15-12-26-29(7-2)14(15)4/h8-9,11-12H,6-7,10H2,1-5H3,(H,27,31).

What are the key properties of 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?

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 has a molecular weight of 510.58 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 19468716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).