(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one

C23H24FN5O2 — CID 127038126

IUPAC(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CN2CCCCC2)CN1c1ccc(-n2cc(-c3ccccn3)cn2)c(F)c1
InChIInChI=1S/C23H24FN5O2/c24-20-12-18(28-16-19(31-23(28)30)15-27-10-4-1-5-11-27)7-8-22(20)29-14-17(13-26-29)21-6-2-3-9-25-21/h2-3,6-9,12-14,19H,1,4-5,10-11,15-16H2/t19-/m0/s1
InChIKeyQKRMWTXCWPHLPQ-IBGZPJMESA-N
MW421.48 g/mol
LogP3.88
Rot. Bonds5

About (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one

(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 127038126) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID127038126
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CN2CCCCC2)CN1c1ccc(-n2cc(-c3ccccn3)cn2)c(F)c1
InChIInChI=1S/C23H24FN5O2/c24-20-12-18(28-16-19(31-23(28)30)15-27-10-4-1-5-11-27)7-8-22(20)29-14-17(13-26-29)21-6-2-3-9-25-21/h2-3,6-9,12-14,19H,1,4-5,10-11,15-16H2/t19-/m0/s1
InChIKeyQKRMWTXCWPHLPQ-IBGZPJMESA-N
XLogP3.88
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one (CID 127038126) is (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](CN2CCCCC2)CN1c1ccc(-n2cc(-c3ccccn3)cn2)c(F)c1.
What is the InChIKey of (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is QKRMWTXCWPHLPQ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24FN5O2/c24-20-12-18(28-16-19(31-23(28)30)15-27-10-4-1-5-11-27)7-8-22(20)29-14-17(13-26-29)21-6-2-3-9-25-21/h2-3,6-9,12-14,19H,1,4-5,10-11,15-16H2/t19-/m0/s1.
What are the key properties of (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one?
(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 421.48 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 127038126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).