5-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide

C37H33F5N10O4 — CID 161008711

IUPAC5-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2F)ccc1C#N.O=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnn(-c2cnc(C(F)(F)F)cn2)c1
InChIInChI=1S/C19H16F4N6O2.C18H17FN4O2/c20-14-5-12(1-2-13(14)15-7-24-3-4-31-15)28-18(30)11-6-27-29(10-11)17-9-25-16(8-26-17)19(21,22)23;1-11-13(9-20)3-5-16(22-11)18(24)23-15-4-2-12(8-14(15)19)17-10-21-6-7-25-17/h1-2,5-6,8-10,15,24H,3-4,7H2,(H,28,30);2-5,8,17,21H,6-7,10H2,1H3,(H,23,24)/t15-;17-/m11/s1
InChIKeyTWVRICAUOSXKMU-DPGIROPPSA-N
MW776.73 g/mol
LogP5.05
Rot. Bonds7

About 5-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide

5-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide (PubChem CID 161008711) has the molecular formula C37H33F5N10O4 and a molecular weight of 776.73 g/mol. Its IUPAC name is 5-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide
PubChem CID161008711
Molecular FormulaC37H33F5N10O4
Molecular Weight776.73 g/mol
Exact Mass776.26
IUPAC Name5-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2F)ccc1C#N.O=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnn(-c2cnc(C(F)(F)F)cn2)c1
InChIInChI=1S/C19H16F4N6O2.C18H17FN4O2/c20-14-5-12(1-2-13(14)15-7-24-3-4-31-15)28-18(30)11-6-27-29(10-11)17-9-25-16(8-26-17)19(21,22)23;1-11-13(9-20)3-5-16(22-11)18(24)23-15-4-2-12(8-14(15)19)17-10-21-6-7-25-17/h1-2,5-6,8-10,15,24H,3-4,7H2,(H,28,30);2-5,8,17,21H,6-7,10H2,1H3,(H,23,24)/t15-;17-/m11/s1
InChIKeyTWVRICAUOSXKMU-DPGIROPPSA-N
XLogP5.05
TPSA181.00 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500776.73
LogP ≤ 55.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 5-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide with MolForge

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Related Compounds

N-[4-[(2R)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-3-carboxamide
CID 71087441
1-(5-cyanopyrazin-2-yl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 71086678
N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide
CID 71086728
N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide
CID 71086875
N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide
CID 71086896
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-3-carboxamide
CID 71087452
1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087474
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide
CID 71087564
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide
CID 71087715
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide
CID 71087896
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide
CID 73442626
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide
CID 73442627

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 5-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide (CID 161008711) is 5-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 5-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2F)ccc1C#N.O=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnn(-c2cnc(C(F)(F)F)cn2)c1.
What is the InChIKey of 5-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide?
The InChIKey is TWVRICAUOSXKMU-DPGIROPPSA-N. The full InChI is InChI=1S/C19H16F4N6O2.C18H17FN4O2/c20-14-5-12(1-2-13(14)15-7-24-3-4-31-15)28-18(30)11-6-27-29(10-11)17-9-25-16(8-26-17)19(21,22)23;1-11-13(9-20)3-5-16(22-11)18(24)23-15-4-2-12(8-14(15)19)17-10-21-6-7-25-17/h1-2,5-6,8-10,15,24H,3-4,7H2,(H,28,30);2-5,8,17,21H,6-7,10H2,1H3,(H,23,24)/t15-;17-/m11/s1.
What are the key properties of 5-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide?
5-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide has a molecular weight of 776.73 g/mol, XLogP of 5.05, 7 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 161008711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).