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

C19H22F2N6O3 — CID 145440353

IUPAC(6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(4S)-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESC[C@@H]1N(c2cnn3c2CN(C(=O)Nc2cc(F)nc(F)c2)[C@@H](C)C3)C(=O)OC1(C)C
InChIInChI=1S/C19H22F2N6O3/c1-10-8-26-14(13(7-22-26)27-11(2)19(3,4)30-18(27)29)9-25(10)17(28)23-12-5-15(20)24-16(21)6-12/h5-7,10-11H,8-9H2,1-4H3,(H,23,24,28)/t10-,11-/m0/s1
InChIKeyKDOLKLXRKGOSHM-QWRGUYRKSA-N
MW420.42 g/mol
LogP3.12
Rot. Bonds2

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

(6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(4S)-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 145440353) has the molecular formula C19H22F2N6O3 and a molecular weight of 420.42 g/mol. Its IUPAC name is (6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(4S)-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name(6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(4S)-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID145440353
Molecular FormulaC19H22F2N6O3
Molecular Weight420.42 g/mol
Exact Mass420.17
IUPAC Name(6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(4S)-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESC[C@@H]1N(c2cnn3c2CN(C(=O)Nc2cc(F)nc(F)c2)[C@@H](C)C3)C(=O)OC1(C)C
InChIInChI=1S/C19H22F2N6O3/c1-10-8-26-14(13(7-22-26)27-11(2)19(3,4)30-18(27)29)9-25(10)17(28)23-12-5-15(20)24-16(21)6-12/h5-7,10-11H,8-9H2,1-4H3,(H,23,24,28)/t10-,11-/m0/s1
InChIKeyKDOLKLXRKGOSHM-QWRGUYRKSA-N
XLogP3.12
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(4S)-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of (6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(4S)-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 145440353) is (6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(4S)-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for (6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(4S)-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for (6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(4S)-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is C[C@@H]1N(c2cnn3c2CN(C(=O)Nc2cc(F)nc(F)c2)[C@@H](C)C3)C(=O)OC1(C)C.
What is the InChIKey of (6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(4S)-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is KDOLKLXRKGOSHM-QWRGUYRKSA-N. The full InChI is InChI=1S/C19H22F2N6O3/c1-10-8-26-14(13(7-22-26)27-11(2)19(3,4)30-18(27)29)9-25(10)17(28)23-12-5-15(20)24-16(21)6-12/h5-7,10-11H,8-9H2,1-4H3,(H,23,24,28)/t10-,11-/m0/s1.
What are the key properties of (6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(4S)-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
(6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(4S)-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 420.42 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(4S)-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 145440353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).