(4S)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one

C23H17FN8O2 — CID 67034628

IUPAC(4S)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one
SMILESCc1ccnc([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5ncn[nH]5)c(F)c4)c3n2)c1
InChIInChI=1S/C23H17FN8O2/c1-13-4-6-25-18(8-13)19-11-34-23(33)32(19)20-5-7-31-22(29-20)16(10-28-31)14-2-3-15(17(24)9-14)21-26-12-27-30-21/h2-10,12,19H,11H2,1H3,(H,26,27,30)/t19-/m1/s1
InChIKeyRHQRGXXGGZBWHD-LJQANCHMSA-N
MW456.44 g/mol
LogP3.72
Rot. Bonds4

About (4S)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one

(4S)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one (PubChem CID 67034628) has the molecular formula C23H17FN8O2 and a molecular weight of 456.44 g/mol. Its IUPAC name is (4S)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one
PubChem CID67034628
Molecular FormulaC23H17FN8O2
Molecular Weight456.44 g/mol
Exact Mass456.15
IUPAC Name(4S)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one
SMILESCc1ccnc([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5ncn[nH]5)c(F)c4)c3n2)c1
InChIInChI=1S/C23H17FN8O2/c1-13-4-6-25-18(8-13)19-11-34-23(33)32(19)20-5-7-31-22(29-20)16(10-28-31)14-2-3-15(17(24)9-14)21-26-12-27-30-21/h2-10,12,19H,11H2,1H3,(H,26,27,30)/t19-/m1/s1
InChIKeyRHQRGXXGGZBWHD-LJQANCHMSA-N
XLogP3.72
TPSA114.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4S)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one (CID 67034628) is (4S)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one is Cc1ccnc([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5ncn[nH]5)c(F)c4)c3n2)c1.
What is the InChIKey of (4S)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one?
The InChIKey is RHQRGXXGGZBWHD-LJQANCHMSA-N. The full InChI is InChI=1S/C23H17FN8O2/c1-13-4-6-25-18(8-13)19-11-34-23(33)32(19)20-5-7-31-22(29-20)16(10-28-31)14-2-3-15(17(24)9-14)21-26-12-27-30-21/h2-10,12,19H,11H2,1H3,(H,26,27,30)/t19-/m1/s1.
What are the key properties of (4S)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one?
(4S)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one has a molecular weight of 456.44 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67034628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).