ethyl 5-[[1-(2-cyclopropyloxyethyl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate

C25H32N6O6 — CID 137450820

About ethyl 5-[[1-(2-cyclopropyloxyethyl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 5-[[1-(2-cyclopropyloxyethyl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 137450820) has the molecular formula C25H32N6O6 and a molecular weight of 512.57 g/mol. Its IUPAC name is ethyl 5-[[1-(2-cyclopropyloxyethyl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-[[1-(2-cyclopropyloxyethyl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
• PubChem CID: 137450820
• Molecular Formula: C25H32N6O6
• Molecular Weight: 512.57 g/mol
• Exact Mass: 512.24
• IUPAC Name: ethyl 5-[[1-(2-cyclopropyloxyethyl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
• SMILES: CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(CCOC4CC4)c3=O)nc12
• InChI: InChI=1S/C25H32N6O6/c1-6-35-23(33)17-15-26-31-20(29(5)24(34)37-25(2,3)4)14-19(28-21(17)31)27-18-8-7-11-30(22(18)32)12-13-36-16-9-10-16/h7-8,11,14-16H,6,9-10,12-13H2,1-5H3,(H,27,28)
• InChIKey: JZUCQSWNJZVYPB-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 129.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.57
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[1-(2-cyclopropyloxyethyl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

The IUPAC name of ethyl 5-[[1-(2-cyclopropyloxyethyl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 137450820) is ethyl 5-[[1-(2-cyclopropyloxyethyl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

What is the SMILES notation for ethyl 5-[[1-(2-cyclopropyloxyethyl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

The canonical SMILES for ethyl 5-[[1-(2-cyclopropyloxyethyl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(CCOC4CC4)c3=O)nc12.

What is the InChIKey of ethyl 5-[[1-(2-cyclopropyloxyethyl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

The InChIKey is JZUCQSWNJZVYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O6/c1-6-35-23(33)17-15-26-31-20(29(5)24(34)37-25(2,3)4)14-19(28-21(17)31)27-18-8-7-11-30(22(18)32)12-13-36-16-9-10-16/h7-8,11,14-16H,6,9-10,12-13H2,1-5H3,(H,27,28).

What are the key properties of ethyl 5-[[1-(2-cyclopropyloxyethyl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

ethyl 5-[[1-(2-cyclopropyloxyethyl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 512.57 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[[1-(2-cyclopropyloxyethyl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 137450820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).