(4S)-3-(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-fluoro-6-(3-methylbutyl)-2-pyridinyl]-1,3-oxazolidin-2-one;ethane

C23H28FN5O3 — CID 142510716

IUPAC(4S)-3-(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-fluoro-6-(3-methylbutyl)-2-pyridinyl]-1,3-oxazolidin-2-one;ethane
SMILESCC.CC(=O)c1cnn2ccc(N3C(=O)OC[C@@H]3c3cc(F)cc(CCC(C)C)n3)nc12
InChIInChI=1S/C21H22FN5O3.C2H6/c1-12(2)4-5-15-8-14(22)9-17(24-15)18-11-30-21(29)27(18)19-6-7-26-20(25-19)16(10-23-26)13(3)28;1-2/h6-10,12,18H,4-5,11H2,1-3H3;1-2H3/t18-;/m1./s1
InChIKeyOGTGXULUJWENCM-GMUIIQOCSA-N
MW441.51 g/mol
LogP4.78
Rot. Bonds6

About (4S)-3-(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-fluoro-6-(3-methylbutyl)-2-pyridinyl]-1,3-oxazolidin-2-one;ethane

(4S)-3-(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-fluoro-6-(3-methylbutyl)-2-pyridinyl]-1,3-oxazolidin-2-one;ethane (PubChem CID 142510716) has the molecular formula C23H28FN5O3 and a molecular weight of 441.51 g/mol. Its IUPAC name is (4S)-3-(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-fluoro-6-(3-methylbutyl)-2-pyridinyl]-1,3-oxazolidin-2-one;ethane.

Molecular Properties

Compound Name(4S)-3-(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-fluoro-6-(3-methylbutyl)-2-pyridinyl]-1,3-oxazolidin-2-one;ethane
PubChem CID142510716
Molecular FormulaC23H28FN5O3
Molecular Weight441.51 g/mol
Exact Mass441.22
IUPAC Name(4S)-3-(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-fluoro-6-(3-methylbutyl)-2-pyridinyl]-1,3-oxazolidin-2-one;ethane
SMILESCC.CC(=O)c1cnn2ccc(N3C(=O)OC[C@@H]3c3cc(F)cc(CCC(C)C)n3)nc12
InChIInChI=1S/C21H22FN5O3.C2H6/c1-12(2)4-5-15-8-14(22)9-17(24-15)18-11-30-21(29)27(18)19-6-7-26-20(25-19)16(10-23-26)13(3)28;1-2/h6-10,12,18H,4-5,11H2,1-3H3;1-2H3/t18-;/m1./s1
InChIKeyOGTGXULUJWENCM-GMUIIQOCSA-N
XLogP4.78
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4S)-3-(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-fluoro-6-(3-methylbutyl)-2-pyridinyl]-1,3-oxazolidin-2-one;ethane with MolForge

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Related Compounds

9-fluoro-4-oxa-2,16,20,21,24,26-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7,9,11(26),18(25),19,22-heptaene-3,17-dione
CID 142338953
ethyl 5-[3-[5-fluoro-2-(3-methylbutyl)-3-pyridinyl]-1,2-oxazolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 158306054
4-[5-[(4S)-4-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid
CID 67034785
1-[5-(2,2-difluoromorpholin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 170379491
3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one
CID 67034416
2-fluoro-4-[5-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N'-methanimidoylbenzenecarboximidamide
CID 123433545
1-(5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 170379383
3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-propyl-1,3-oxazolidin-2-one
CID 67034379
(4S)-3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-propyl-1,3-oxazolidin-2-one
CID 67034378
1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 158621438
(6S)-4-oxa-2,15,19,20,23,25-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,11(25),17(24),18,21-heptaene-3,16-dione
CID 154592186
4-oxa-2,15,19,20,23,25-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,11(25),17(24),18,21-heptaene-3,16-dione
CID 142338970

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-fluoro-6-(3-methylbutyl)-2-pyridinyl]-1,3-oxazolidin-2-one;ethane?
The IUPAC name of (4S)-3-(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-fluoro-6-(3-methylbutyl)-2-pyridinyl]-1,3-oxazolidin-2-one;ethane (CID 142510716) is (4S)-3-(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-fluoro-6-(3-methylbutyl)-2-pyridinyl]-1,3-oxazolidin-2-one;ethane.
What is the SMILES notation for (4S)-3-(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-fluoro-6-(3-methylbutyl)-2-pyridinyl]-1,3-oxazolidin-2-one;ethane?
The canonical SMILES for (4S)-3-(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-fluoro-6-(3-methylbutyl)-2-pyridinyl]-1,3-oxazolidin-2-one;ethane is CC.CC(=O)c1cnn2ccc(N3C(=O)OC[C@@H]3c3cc(F)cc(CCC(C)C)n3)nc12.
What is the InChIKey of (4S)-3-(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-fluoro-6-(3-methylbutyl)-2-pyridinyl]-1,3-oxazolidin-2-one;ethane?
The InChIKey is OGTGXULUJWENCM-GMUIIQOCSA-N. The full InChI is InChI=1S/C21H22FN5O3.C2H6/c1-12(2)4-5-15-8-14(22)9-17(24-15)18-11-30-21(29)27(18)19-6-7-26-20(25-19)16(10-23-26)13(3)28;1-2/h6-10,12,18H,4-5,11H2,1-3H3;1-2H3/t18-;/m1./s1.
What are the key properties of (4S)-3-(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-fluoro-6-(3-methylbutyl)-2-pyridinyl]-1,3-oxazolidin-2-one;ethane?
(4S)-3-(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-fluoro-6-(3-methylbutyl)-2-pyridinyl]-1,3-oxazolidin-2-one;ethane has a molecular weight of 441.51 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-fluoro-6-(3-methylbutyl)-2-pyridinyl]-1,3-oxazolidin-2-one;ethane is sourced from PubChem (CID 142510716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).