(2S)-2-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-7-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyacetic acid

C26H31N5O5 — CID 118670835

IUPAC(2S)-2-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-7-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyacetic acid
SMILESCc1nc2cc(N3C(=O)OCC3Cc3ccccc3)nn2c(N2CCC(C)(C)CC2)c1[C@H](O)C(=O)O
InChIInChI=1S/C26H31N5O5/c1-16-21(22(32)24(33)34)23(29-11-9-26(2,3)10-12-29)31-19(27-16)14-20(28-31)30-18(15-36-25(30)35)13-17-7-5-4-6-8-17/h4-8,14,18,22,32H,9-13,15H2,1-3H3,(H,33,34)/t18?,22-/m0/s1
InChIKeyNMOABZGYMIKOJL-YSYXNDDBSA-N
MW493.56 g/mol
LogP3.35
Rot. Bonds6

About (2S)-2-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-7-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyacetic acid

(2S)-2-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-7-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyacetic acid (PubChem CID 118670835) has the molecular formula C26H31N5O5 and a molecular weight of 493.56 g/mol. Its IUPAC name is (2S)-2-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-7-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name(2S)-2-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-7-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyacetic acid
PubChem CID118670835
Molecular FormulaC26H31N5O5
Molecular Weight493.56 g/mol
Exact Mass493.23
IUPAC Name(2S)-2-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-7-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyacetic acid
SMILESCc1nc2cc(N3C(=O)OCC3Cc3ccccc3)nn2c(N2CCC(C)(C)CC2)c1[C@H](O)C(=O)O
InChIInChI=1S/C26H31N5O5/c1-16-21(22(32)24(33)34)23(29-11-9-26(2,3)10-12-29)31-19(27-16)14-20(28-31)30-18(15-36-25(30)35)13-17-7-5-4-6-8-17/h4-8,14,18,22,32H,9-13,15H2,1-3H3,(H,33,34)/t18?,22-/m0/s1
InChIKeyNMOABZGYMIKOJL-YSYXNDDBSA-N
XLogP3.35
TPSA120.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2S)-2-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-7-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyacetic acid with MolForge

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Related Compounds

(2S)-2-[2-(5-benzyl-2-oxo-1,3-oxazolidin-3-yl)-7-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 85470086
2-[7-(4,4-dimethylpiperidin-1-yl)-2-[3-(4-fluorophenyl)phenyl]-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyacetic acid
CID 123894296
(4S)-3-[6-(1-acetylpiperidin-4-yl)-2-methylpyrimidin-4-yl]-4-benzyl-1,3-oxazolidin-2-one
CID 124961496
(4R)-3-[6-(1-acetylpiperidin-4-yl)-2-methylpyrimidin-4-yl]-4-benzyl-1,3-oxazolidin-2-one
CID 124961497
(4S)-4-benzyl-3-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one
CID 124994123
(2S)-2-[2-[3-(2-fluorophenyl)phenyl]-5-methyl-7-(6-methyl-3-azabicyclo[4.1.0]heptan-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyacetic acid
CID 126491062
(4S)-3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-benzyl-1,3-oxazolidin-2-one
CID 125020370
2-[7-(4,4-dimethylpiperidin-1-yl)-5-methyl-2-(3-phenylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 71730685
(4R)-4-benzyl-3-[(E)-1-hydroxyprop-1-enyl]-1,3-oxazolidin-2-one
CID 100990536
4-benzyl-3-[5-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
CID 110099004
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
(4S)-4-benzyl-3-[2-(3,3-dimethylcyclobutyl)acetyl]-1,3-oxazolidin-2-one
CID 156622324

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-7-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyacetic acid?
The IUPAC name of (2S)-2-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-7-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyacetic acid (CID 118670835) is (2S)-2-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-7-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyacetic acid.
What is the SMILES notation for (2S)-2-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-7-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyacetic acid?
The canonical SMILES for (2S)-2-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-7-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyacetic acid is Cc1nc2cc(N3C(=O)OCC3Cc3ccccc3)nn2c(N2CCC(C)(C)CC2)c1[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-7-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyacetic acid?
The InChIKey is NMOABZGYMIKOJL-YSYXNDDBSA-N. The full InChI is InChI=1S/C26H31N5O5/c1-16-21(22(32)24(33)34)23(29-11-9-26(2,3)10-12-29)31-19(27-16)14-20(28-31)30-18(15-36-25(30)35)13-17-7-5-4-6-8-17/h4-8,14,18,22,32H,9-13,15H2,1-3H3,(H,33,34)/t18?,22-/m0/s1.
What are the key properties of (2S)-2-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-7-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyacetic acid?
(2S)-2-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-7-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyacetic acid has a molecular weight of 493.56 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-7-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyacetic acid is sourced from PubChem (CID 118670835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).