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

C22H27ClN6O5 — CID 137450597

IUPACethyl 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cc(Cl)cn(CC)c3=O)nc12
InChIInChI=1S/C22H27ClN6O5/c1-7-28-12-13(23)9-15(19(28)30)25-16-10-17(27(6)21(32)34-22(3,4)5)29-18(26-16)14(11-24-29)20(31)33-8-2/h9-12H,7-8H2,1-6H3,(H,25,26)
InChIKeyPZLWYVCKZXRYGM-UHFFFAOYSA-N
MW490.95 g/mol
LogP3.86
Rot. Bonds6

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

ethyl 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 137450597) has the molecular formula C22H27ClN6O5 and a molecular weight of 490.95 g/mol. Its IUPAC name is ethyl 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID137450597
Molecular FormulaC22H27ClN6O5
Molecular Weight490.95 g/mol
Exact Mass490.17
IUPAC Nameethyl 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cc(Cl)cn(CC)c3=O)nc12
InChIInChI=1S/C22H27ClN6O5/c1-7-28-12-13(23)9-15(19(28)30)25-16-10-17(27(6)21(32)34-22(3,4)5)29-18(26-16)14(11-24-29)20(31)33-8-2/h9-12H,7-8H2,1-6H3,(H,25,26)
InChIKeyPZLWYVCKZXRYGM-UHFFFAOYSA-N
XLogP3.86
TPSA120.06 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.95
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(5-chloro-1-ethyl-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-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 137450597) is ethyl 5-[(5-chloro-1-ethyl-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-[(5-chloro-1-ethyl-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-[(5-chloro-1-ethyl-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(Nc3cc(Cl)cn(CC)c3=O)nc12.
What is the InChIKey of ethyl 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is PZLWYVCKZXRYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN6O5/c1-7-28-12-13(23)9-15(19(28)30)25-16-10-17(27(6)21(32)34-22(3,4)5)29-18(26-16)14(11-24-29)20(31)33-8-2/h9-12H,7-8H2,1-6H3,(H,25,26).
What are the key properties of ethyl 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 5-[(5-chloro-1-ethyl-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 490.95 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(5-chloro-1-ethyl-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 137450597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).