(6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C22H19F3N6O3 — CID 121484226

IUPAC(6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESC[C@H]1Cn2ncc(N3CC(c4ccccn4)OC3=O)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C22H19F3N6O3/c1-12-9-31-18(10-29(12)21(32)28-13-6-14(23)20(25)15(24)7-13)17(8-27-31)30-11-19(34-22(30)33)16-4-2-3-5-26-16/h2-8,12,19H,9-11H2,1H3,(H,28,32)/t12-,19?/m0/s1
InChIKeyCTJXDGBOMZDIMT-HSLMYDHPSA-N
MW472.43 g/mol
LogP3.83
Rot. Bonds3

About (6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

(6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121484226) has the molecular formula C22H19F3N6O3 and a molecular weight of 472.43 g/mol. Its IUPAC name is (6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name(6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID121484226
Molecular FormulaC22H19F3N6O3
Molecular Weight472.43 g/mol
Exact Mass472.15
IUPAC Name(6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESC[C@H]1Cn2ncc(N3CC(c4ccccn4)OC3=O)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C22H19F3N6O3/c1-12-9-31-18(10-29(12)21(32)28-13-6-14(23)20(25)15(24)7-13)17(8-27-31)30-11-19(34-22(30)33)16-4-2-3-5-26-16/h2-8,12,19H,9-11H2,1H3,(H,28,32)/t12-,19?/m0/s1
InChIKeyCTJXDGBOMZDIMT-HSLMYDHPSA-N
XLogP3.83
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of (6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121484226) is (6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for (6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for (6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is C[C@H]1Cn2ncc(N3CC(c4ccccn4)OC3=O)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of (6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is CTJXDGBOMZDIMT-HSLMYDHPSA-N. The full InChI is InChI=1S/C22H19F3N6O3/c1-12-9-31-18(10-29(12)21(32)28-13-6-14(23)20(25)15(24)7-13)17(8-27-31)30-11-19(34-22(30)33)16-4-2-3-5-26-16/h2-8,12,19H,9-11H2,1H3,(H,28,32)/t12-,19?/m0/s1.
What are the key properties of (6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
(6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 472.43 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121484226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).