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

C23H14F4N8O2 — CID 50995019

IUPAC(4S)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2ccc(C(F)(F)F)cn2)N1c1ccn2ncc(-c3ccc(-c4ncn[nH]4)c(F)c3)c2n1
InChIInChI=1S/C23H14F4N8O2/c24-16-7-12(1-3-14(16)20-29-11-30-33-20)15-9-31-34-6-5-19(32-21(15)34)35-18(10-37-22(35)36)17-4-2-13(8-28-17)23(25,26)27/h1-9,11,18H,10H2,(H,29,30,33)/t18-/m1/s1
InChIKeyPLPOSXSEIXOAPH-GOSISDBHSA-N
MW510.41 g/mol
LogP4.43
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-[5-(trifluoromethyl)-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-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 50995019) has the molecular formula C23H14F4N8O2 and a molecular weight of 510.41 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-[5-(trifluoromethyl)-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-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID50995019
Molecular FormulaC23H14F4N8O2
Molecular Weight510.41 g/mol
Exact Mass510.12
IUPAC Name(4S)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2ccc(C(F)(F)F)cn2)N1c1ccn2ncc(-c3ccc(-c4ncn[nH]4)c(F)c3)c2n1
InChIInChI=1S/C23H14F4N8O2/c24-16-7-12(1-3-14(16)20-29-11-30-33-20)15-9-31-34-6-5-19(32-21(15)34)35-18(10-37-22(35)36)17-4-2-13(8-28-17)23(25,26)27/h1-9,11,18H,10H2,(H,29,30,33)/t18-/m1/s1
InChIKeyPLPOSXSEIXOAPH-GOSISDBHSA-N
XLogP4.43
TPSA114.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.41
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-[5-(trifluoromethyl)-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-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one (CID 50995019) is (4S)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-[5-(trifluoromethyl)-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-[5-(trifluoromethyl)-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-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one is O=C1OC[C@H](c2ccc(C(F)(F)F)cn2)N1c1ccn2ncc(-c3ccc(-c4ncn[nH]4)c(F)c3)c2n1.
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-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is PLPOSXSEIXOAPH-GOSISDBHSA-N. The full InChI is InChI=1S/C23H14F4N8O2/c24-16-7-12(1-3-14(16)20-29-11-30-33-20)15-9-31-34-6-5-19(32-21(15)34)35-18(10-37-22(35)36)17-4-2-13(8-28-17)23(25,26)27/h1-9,11,18H,10H2,(H,29,30,33)/t18-/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-[5-(trifluoromethyl)-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-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 510.41 g/mol, XLogP of 4.43, 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-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 50995019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).