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

C22H18F4N6O3 — CID 121484602

IUPAC(6S)-3-[5-(6-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESC[C@H]1Cn2ncc(N3CC(c4cccc(F)n4)OC3=O)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C22H18F4N6O3/c1-11-8-32-17(9-30(11)21(33)28-12-5-13(23)20(26)14(24)6-12)16(7-27-32)31-10-18(35-22(31)34)15-3-2-4-19(25)29-15/h2-7,11,18H,8-10H2,1H3,(H,28,33)/t11-,18?/m0/s1
InChIKeyCVYRQUOBINOWRP-FAQQKDIKSA-N
MW490.42 g/mol
LogP3.97
Rot. Bonds3

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

(6S)-3-[5-(6-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121484602) has the molecular formula C22H18F4N6O3 and a molecular weight of 490.42 g/mol. Its IUPAC name is (6S)-3-[5-(6-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name(6S)-3-[5-(6-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID121484602
Molecular FormulaC22H18F4N6O3
Molecular Weight490.42 g/mol
Exact Mass490.14
IUPAC Name(6S)-3-[5-(6-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESC[C@H]1Cn2ncc(N3CC(c4cccc(F)n4)OC3=O)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C22H18F4N6O3/c1-11-8-32-17(9-30(11)21(33)28-12-5-13(23)20(26)14(24)6-12)16(7-27-32)31-10-18(35-22(31)34)15-3-2-4-19(25)29-15/h2-7,11,18H,8-10H2,1H3,(H,28,33)/t11-,18?/m0/s1
InChIKeyCVYRQUOBINOWRP-FAQQKDIKSA-N
XLogP3.97
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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

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Frequently Asked Questions

What is the IUPAC name of (6S)-3-[5-(6-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of (6S)-3-[5-(6-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121484602) is (6S)-3-[5-(6-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for (6S)-3-[5-(6-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for (6S)-3-[5-(6-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is C[C@H]1Cn2ncc(N3CC(c4cccc(F)n4)OC3=O)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of (6S)-3-[5-(6-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is CVYRQUOBINOWRP-FAQQKDIKSA-N. The full InChI is InChI=1S/C22H18F4N6O3/c1-11-8-32-17(9-30(11)21(33)28-12-5-13(23)20(26)14(24)6-12)16(7-27-32)31-10-18(35-22(31)34)15-3-2-4-19(25)29-15/h2-7,11,18H,8-10H2,1H3,(H,28,33)/t11-,18?/m0/s1.
What are the key properties of (6S)-3-[5-(6-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
(6S)-3-[5-(6-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 490.42 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-[5-(6-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121484602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).