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

C23H30N6O5 — CID 137450284

IUPACethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(C(C)C)c3=O)nc12
InChIInChI=1S/C23H30N6O5/c1-8-33-21(31)15-13-24-29-18(27(7)22(32)34-23(4,5)6)12-17(26-19(15)29)25-16-10-9-11-28(14(2)3)20(16)30/h9-14H,8H2,1-7H3,(H,25,26)
InChIKeyCJYZIRDEOAGCLF-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.76
Rot. Bonds6

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

ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 137450284) has the molecular formula C23H30N6O5 and a molecular weight of 470.53 g/mol. Its IUPAC name is ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID137450284
Molecular FormulaC23H30N6O5
Molecular Weight470.53 g/mol
Exact Mass470.23
IUPAC Nameethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(C(C)C)c3=O)nc12
InChIInChI=1S/C23H30N6O5/c1-8-33-21(31)15-13-24-29-18(27(7)22(32)34-23(4,5)6)12-17(26-19(15)29)25-16-10-9-11-28(14(2)3)20(16)30/h9-14H,8H2,1-7H3,(H,25,26)
InChIKeyCJYZIRDEOAGCLF-UHFFFAOYSA-N
XLogP3.76
TPSA120.06 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 137450284) is ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(C(C)C)c3=O)nc12.
What is the InChIKey of ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is CJYZIRDEOAGCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O5/c1-8-33-21(31)15-13-24-29-18(27(7)22(32)34-23(4,5)6)12-17(26-19(15)29)25-16-10-9-11-28(14(2)3)20(16)30/h9-14H,8H2,1-7H3,(H,25,26).
What are the key properties of ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 470.53 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 137450284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).