4-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxooxolane-2-carboxylic acid

C17H23N3O6 — CID 140734140

IUPAC4-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxooxolane-2-carboxylic acid
SMILESC[C@H]1Cn2ncc(C3CC(C(=O)O)OC3=O)c2CN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H23N3O6/c1-9-7-20-12(8-19(9)16(24)26-17(2,3)4)11(6-18-20)10-5-13(14(21)22)25-15(10)23/h6,9-10,13H,5,7-8H2,1-4H3,(H,21,22)/t9-,10?,13?/m0/s1
InChIKeyPNWDMOACMZEOSY-JBLZRFIASA-N
MW365.39 g/mol
LogP1.51
Rot. Bonds2

About 4-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxooxolane-2-carboxylic acid

4-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxooxolane-2-carboxylic acid (PubChem CID 140734140) has the molecular formula C17H23N3O6 and a molecular weight of 365.39 g/mol. Its IUPAC name is 4-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxooxolane-2-carboxylic acid.

Molecular Properties

Compound Name4-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxooxolane-2-carboxylic acid
PubChem CID140734140
Molecular FormulaC17H23N3O6
Molecular Weight365.39 g/mol
Exact Mass365.16
IUPAC Name4-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxooxolane-2-carboxylic acid
SMILESC[C@H]1Cn2ncc(C3CC(C(=O)O)OC3=O)c2CN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H23N3O6/c1-9-7-20-12(8-19(9)16(24)26-17(2,3)4)11(6-18-20)10-5-13(14(21)22)25-15(10)23/h6,9-10,13H,5,7-8H2,1-4H3,(H,21,22)/t9-,10?,13?/m0/s1
InChIKeyPNWDMOACMZEOSY-JBLZRFIASA-N
XLogP1.51
TPSA110.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxooxolane-2-carboxylic acid?
The IUPAC name of 4-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxooxolane-2-carboxylic acid (CID 140734140) is 4-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxooxolane-2-carboxylic acid.
What is the SMILES notation for 4-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxooxolane-2-carboxylic acid?
The canonical SMILES for 4-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxooxolane-2-carboxylic acid is C[C@H]1Cn2ncc(C3CC(C(=O)O)OC3=O)c2CN1C(=O)OC(C)(C)C.
What is the InChIKey of 4-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxooxolane-2-carboxylic acid?
The InChIKey is PNWDMOACMZEOSY-JBLZRFIASA-N. The full InChI is InChI=1S/C17H23N3O6/c1-9-7-20-12(8-19(9)16(24)26-17(2,3)4)11(6-18-20)10-5-13(14(21)22)25-15(10)23/h6,9-10,13H,5,7-8H2,1-4H3,(H,21,22)/t9-,10?,13?/m0/s1.
What are the key properties of 4-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxooxolane-2-carboxylic acid?
4-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxooxolane-2-carboxylic acid has a molecular weight of 365.39 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxooxolane-2-carboxylic acid is sourced from PubChem (CID 140734140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).