ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

C19H18FN5O3 — CID 142589552

IUPACethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(N3CC4CC4C3c3cc(F)c[nH]c3=O)nc12
InChIInChI=1S/C19H18FN5O3/c1-2-28-19(27)14-8-22-25-4-3-15(23-17(14)25)24-9-10-5-12(10)16(24)13-6-11(20)7-21-18(13)26/h3-4,6-8,10,12,16H,2,5,9H2,1H3,(H,21,26)
InChIKeyIPWYKFLGNNVHEZ-UHFFFAOYSA-N
MW383.38 g/mol
LogP1.93
Rot. Bonds4

About ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 142589552) has the molecular formula C19H18FN5O3 and a molecular weight of 383.38 g/mol. Its IUPAC name is ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID142589552
Molecular FormulaC19H18FN5O3
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Nameethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(N3CC4CC4C3c3cc(F)c[nH]c3=O)nc12
InChIInChI=1S/C19H18FN5O3/c1-2-28-19(27)14-8-22-25-4-3-15(23-17(14)25)24-9-10-5-12(10)16(24)13-6-11(20)7-21-18(13)26/h3-4,6-8,10,12,16H,2,5,9H2,1H3,(H,21,26)
InChIKeyIPWYKFLGNNVHEZ-UHFFFAOYSA-N
XLogP1.93
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 142589552) is ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2ccc(N3CC4CC4C3c3cc(F)c[nH]c3=O)nc12.
What is the InChIKey of ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is IPWYKFLGNNVHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O3/c1-2-28-19(27)14-8-22-25-4-3-15(23-17(14)25)24-9-10-5-12(10)16(24)13-6-11(20)7-21-18(13)26/h3-4,6-8,10,12,16H,2,5,9H2,1H3,(H,21,26).
What are the key properties of ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 383.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 142589552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).