(5R)-3-[4-[6-(5,6-dihydro-1H-1,2,4-triazin-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-N-methyl-5,6-dihydro-1,2,4-triazine-1-carboxamide;hydrochloride

C42H42ClF2N17O5 — CID 158910185

IUPAC(5R)-3-[4-[6-(5,6-dihydro-1H-1,2,4-triazin-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-N-methyl-5,6-dihydro-1,2,4-triazine-1-carboxamide;hydrochloride
SMILESCNC(=O)N1CCN(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)C=N1.Cl.O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(N3C=NNCC3)nc2)c(F)c1
InChIInChI=1S/C22H22FN9O3.C20H19FN8O2.ClH/c1-24-21(33)32-9-8-29(14-27-32)20-5-2-15(11-25-20)18-4-3-16(10-19(18)23)31-13-17(35-22(31)34)12-30-7-6-26-28-30;21-18-9-15(29-12-16(31-20(29)30)11-28-8-6-24-26-28)2-3-17(18)14-1-4-19(22-10-14)27-7-5-23-25-13-27;/h2-7,10-11,14,17H,8-9,12-13H2,1H3,(H,24,33);1-4,6,8-10,13,16,23H,5,7,11-12H2;1H/t17-;16-;/m00./s1
InChIKeyWZGDOGGYJLPTDK-GGJYKSOCSA-N
MW938.36 g/mol
LogP4.19
Rot. Bonds10

About (5R)-3-[4-[6-(5,6-dihydro-1H-1,2,4-triazin-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-N-methyl-5,6-dihydro-1,2,4-triazine-1-carboxamide;hydrochloride

(5R)-3-[4-[6-(5,6-dihydro-1H-1,2,4-triazin-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-N-methyl-5,6-dihydro-1,2,4-triazine-1-carboxamide;hydrochloride (PubChem CID 158910185) has the molecular formula C42H42ClF2N17O5 and a molecular weight of 938.36 g/mol. Its IUPAC name is (5R)-3-[4-[6-(5,6-dihydro-1H-1,2,4-triazin-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-N-methyl-5,6-dihydro-1,2,4-triazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(5R)-3-[4-[6-(5,6-dihydro-1H-1,2,4-triazin-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-N-methyl-5,6-dihydro-1,2,4-triazine-1-carboxamide;hydrochloride
PubChem CID158910185
Molecular FormulaC42H42ClF2N17O5
Molecular Weight938.36 g/mol
Exact Mass937.32
IUPAC Name(5R)-3-[4-[6-(5,6-dihydro-1H-1,2,4-triazin-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-N-methyl-5,6-dihydro-1,2,4-triazine-1-carboxamide;hydrochloride
SMILESCNC(=O)N1CCN(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)C=N1.Cl.O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(N3C=NNCC3)nc2)c(F)c1
InChIInChI=1S/C22H22FN9O3.C20H19FN8O2.ClH/c1-24-21(33)32-9-8-29(14-27-32)20-5-2-15(11-25-20)18-4-3-16(10-19(18)23)31-13-17(35-22(31)34)12-30-7-6-26-28-30;21-18-9-15(29-12-16(31-20(29)30)11-28-8-6-24-26-28)2-3-17(18)14-1-4-19(22-10-14)27-7-5-23-25-13-27;/h2-7,10-11,14,17H,8-9,12-13H2,1H3,(H,24,33);1-4,6,8-10,13,16,23H,5,7,11-12H2;1H/t17-;16-;/m00./s1
InChIKeyWZGDOGGYJLPTDK-GGJYKSOCSA-N
XLogP4.19
TPSA221.85 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500938.36
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze (5R)-3-[4-[6-(5,6-dihydro-1H-1,2,4-triazin-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-N-methyl-5,6-dihydro-1,2,4-triazine-1-carboxamide;hydrochloride with MolForge

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Related Compounds

(5R)-3-[4-[4-[[5-(2,4-difluorophenyl)-1-(4-fluorophenyl)-2-methylpyrrol-3-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-5-[[4-(3-methylimidazol-4-yl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 71699448
(5R)-3-[4-[4-[[1-(3,4-difluorophenyl)-2-methyl-5-(2-methylphenyl)pyrrol-3-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-5-[[4-(3-methylimidazol-4-yl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 71699449
(5R)-3-[3-fluoro-4-[4-[[1-(4-fluorophenyl)-2-methyl-5-(2-methylphenyl)pyrrol-3-yl]methyl]piperazin-1-yl]phenyl]-5-[[4-(3-methylimidazol-4-yl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 71699531
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(5S)-3-{3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-2-one
CID 10026915
(R)-3-(4-(2-([1,2,4]triazol-1-yl)pyridin-5-yl)-3-fluorophenyl)-5-([1,2,3]triazol-1-yl)methyl oxazolidin-2-on
CID 11269746
(5R)-3-[4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 11293469
N-[[(5S)-3-[3,5-difluoro-4-[6-(triazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11517218
(5R)-3-{3-Fluoro-4-[2-methyl-6-(4-methyl-1H-1,2,3-triazol-1-yl)pyrid-3-yl]phenyl}-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 57588298
N-[[(5S)-3-[4-[2-[[(1-benzyltriazol-4-yl)methylamino]methyl]imidazo[1,2-a]pyridin-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58239273
tert-butyl N-[(1R,5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 58941153
(5R)-3-[3-fluoro-4-[6-[(1R,5S)-6-isocyano-3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 59854051

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-[6-(5,6-dihydro-1H-1,2,4-triazin-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-N-methyl-5,6-dihydro-1,2,4-triazine-1-carboxamide;hydrochloride?
The IUPAC name of (5R)-3-[4-[6-(5,6-dihydro-1H-1,2,4-triazin-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-N-methyl-5,6-dihydro-1,2,4-triazine-1-carboxamide;hydrochloride (CID 158910185) is (5R)-3-[4-[6-(5,6-dihydro-1H-1,2,4-triazin-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-N-methyl-5,6-dihydro-1,2,4-triazine-1-carboxamide;hydrochloride.
What is the SMILES notation for (5R)-3-[4-[6-(5,6-dihydro-1H-1,2,4-triazin-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-N-methyl-5,6-dihydro-1,2,4-triazine-1-carboxamide;hydrochloride?
The canonical SMILES for (5R)-3-[4-[6-(5,6-dihydro-1H-1,2,4-triazin-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-N-methyl-5,6-dihydro-1,2,4-triazine-1-carboxamide;hydrochloride is CNC(=O)N1CCN(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)C=N1.Cl.O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(N3C=NNCC3)nc2)c(F)c1.
What is the InChIKey of (5R)-3-[4-[6-(5,6-dihydro-1H-1,2,4-triazin-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-N-methyl-5,6-dihydro-1,2,4-triazine-1-carboxamide;hydrochloride?
The InChIKey is WZGDOGGYJLPTDK-GGJYKSOCSA-N. The full InChI is InChI=1S/C22H22FN9O3.C20H19FN8O2.ClH/c1-24-21(33)32-9-8-29(14-27-32)20-5-2-15(11-25-20)18-4-3-16(10-19(18)23)31-13-17(35-22(31)34)12-30-7-6-26-28-30;21-18-9-15(29-12-16(31-20(29)30)11-28-8-6-24-26-28)2-3-17(18)14-1-4-19(22-10-14)27-7-5-23-25-13-27;/h2-7,10-11,14,17H,8-9,12-13H2,1H3,(H,24,33);1-4,6,8-10,13,16,23H,5,7,11-12H2;1H/t17-;16-;/m00./s1.
What are the key properties of (5R)-3-[4-[6-(5,6-dihydro-1H-1,2,4-triazin-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-N-methyl-5,6-dihydro-1,2,4-triazine-1-carboxamide;hydrochloride?
(5R)-3-[4-[6-(5,6-dihydro-1H-1,2,4-triazin-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-N-methyl-5,6-dihydro-1,2,4-triazine-1-carboxamide;hydrochloride has a molecular weight of 938.36 g/mol, XLogP of 4.19, 10 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-[6-(5,6-dihydro-1H-1,2,4-triazin-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-N-methyl-5,6-dihydro-1,2,4-triazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 158910185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).