(4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(5-fluoro-2-pyridinyl)-1,3-oxazolidin-2-one

C22H14F2N8O3 — CID 67034781

IUPAC(4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(5-fluoro-2-pyridinyl)-1,3-oxazolidin-2-one
SMILESNc1nnc(-c2ccc(-c3cnn4ccc(N5C(=O)OC[C@@H]5c5ccc(F)cn5)nc34)cc2F)o1
InChIInChI=1S/C22H14F2N8O3/c23-12-2-4-16(26-8-12)17-10-34-22(33)32(17)18-5-6-31-19(28-18)14(9-27-31)11-1-3-13(15(24)7-11)20-29-30-21(25)35-20/h1-9,17H,10H2,(H2,25,30)/t17-/m1/s1
InChIKeyVGTHTBKUXCUYAW-QGZVFWFLSA-N
MW476.40 g/mol
LogP3.40
Rot. Bonds4

About (4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(5-fluoro-2-pyridinyl)-1,3-oxazolidin-2-one

(4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(5-fluoro-2-pyridinyl)-1,3-oxazolidin-2-one (PubChem CID 67034781) has the molecular formula C22H14F2N8O3 and a molecular weight of 476.40 g/mol. Its IUPAC name is (4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(5-fluoro-2-pyridinyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(5-fluoro-2-pyridinyl)-1,3-oxazolidin-2-one
PubChem CID67034781
Molecular FormulaC22H14F2N8O3
Molecular Weight476.40 g/mol
Exact Mass476.12
IUPAC Name(4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(5-fluoro-2-pyridinyl)-1,3-oxazolidin-2-one
SMILESNc1nnc(-c2ccc(-c3cnn4ccc(N5C(=O)OC[C@@H]5c5ccc(F)cn5)nc34)cc2F)o1
InChIInChI=1S/C22H14F2N8O3/c23-12-2-4-16(26-8-12)17-10-34-22(33)32(17)18-5-6-31-19(28-18)14(9-27-31)11-1-3-13(15(24)7-11)20-29-30-21(25)35-20/h1-9,17H,10H2,(H2,25,30)/t17-/m1/s1
InChIKeyVGTHTBKUXCUYAW-QGZVFWFLSA-N
XLogP3.40
TPSA137.56 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(5-fluoro-2-pyridinyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(5-fluoro-2-pyridinyl)-1,3-oxazolidin-2-one (CID 67034781) is (4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(5-fluoro-2-pyridinyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(5-fluoro-2-pyridinyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(5-fluoro-2-pyridinyl)-1,3-oxazolidin-2-one is Nc1nnc(-c2ccc(-c3cnn4ccc(N5C(=O)OC[C@@H]5c5ccc(F)cn5)nc34)cc2F)o1.
What is the InChIKey of (4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(5-fluoro-2-pyridinyl)-1,3-oxazolidin-2-one?
The InChIKey is VGTHTBKUXCUYAW-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H14F2N8O3/c23-12-2-4-16(26-8-12)17-10-34-22(33)32(17)18-5-6-31-19(28-18)14(9-27-31)11-1-3-13(15(24)7-11)20-29-30-21(25)35-20/h1-9,17H,10H2,(H2,25,30)/t17-/m1/s1.
What are the key properties of (4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(5-fluoro-2-pyridinyl)-1,3-oxazolidin-2-one?
(4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(5-fluoro-2-pyridinyl)-1,3-oxazolidin-2-one has a molecular weight of 476.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[3-[4-(5-amino-1,3,4-oxadiazol-2-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(5-fluoro-2-pyridinyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67034781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).