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Ethyl 2-ethyl-6-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate

C17H22FN3O4 — CID 146267919

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethyl 2-ethyl-6-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(CC)nn2cc(F)c(NC(=O)OC(C)(C)C)cc12
InChIInChI=1S/C17H22FN3O4/c1-6-11-14(15(22)24-7-2)13-8-12(10(18)9-21(13)20-11)19-16(23)25-17(3,4)5/h8-9H,6-7H2,1-5H3,(H,19,23)
InChIKeyUHLVHQMGNIWEII-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.56
Rot. Bonds4

About Ethyl 2-ethyl-6-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate

Ethyl 2-ethyl-6-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 146267919) has the molecular formula C17H22FN3O4 and a molecular weight of 351.38 g/mol. Its IUPAC name is ethyl 2-ethyl-6-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound NameEthyl 2-ethyl-6-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID146267919
Molecular FormulaC17H22FN3O4
Molecular Weight351.38 g/mol
Exact Mass351.16
IUPAC Nameethyl 2-ethyl-6-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(CC)nn2cc(F)c(NC(=O)OC(C)(C)C)cc12
InChIInChI=1S/C17H22FN3O4/c1-6-11-14(15(22)24-7-2)13-8-12(10(18)9-21(13)20-11)19-16(23)25-17(3,4)5/h8-9H,6-7H2,1-5H3,(H,19,23)
InChIKeyUHLVHQMGNIWEII-UHFFFAOYSA-N
XLogP3.56
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of Ethyl 2-ethyl-6-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of Ethyl 2-ethyl-6-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 146267919) is ethyl 2-ethyl-6-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for Ethyl 2-ethyl-6-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for Ethyl 2-ethyl-6-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1c(CC)nn2cc(F)c(NC(=O)OC(C)(C)C)cc12.
What is the InChIKey of Ethyl 2-ethyl-6-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is UHLVHQMGNIWEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O4/c1-6-11-14(15(22)24-7-2)13-8-12(10(18)9-21(13)20-11)19-16(23)25-17(3,4)5/h8-9H,6-7H2,1-5H3,(H,19,23).
What are the key properties of Ethyl 2-ethyl-6-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
Ethyl 2-ethyl-6-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 351.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 2-ethyl-6-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 146267919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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