N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide

C39H39ClF3N7O6 — CID 160774682

IUPACN-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccc([C@@H]3CNCCO3)c(Cl)c2)ccn1.O=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnn(-c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C21H19F3N4O3.C18H20ClN3O3/c22-18-9-14(1-6-17(18)19-11-25-7-8-30-19)27-20(29)13-10-26-28(12-13)15-2-4-16(5-3-15)31-21(23)24;1-2-24-17-9-12(5-6-21-17)18(23)22-13-3-4-14(15(19)10-13)16-11-20-7-8-25-16/h1-6,9-10,12,19,21,25H,7-8,11H2,(H,27,29);3-6,9-10,16,20H,2,7-8,11H2,1H3,(H,22,23)/t19-;16-/m10/s1
InChIKeyRZUBSIQXEKPQNI-VVRIKQGASA-N
MW794.23 g/mol
LogP6.57
Rot. Bonds11

About N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide

N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide (PubChem CID 160774682) has the molecular formula C39H39ClF3N7O6 and a molecular weight of 794.23 g/mol. Its IUPAC name is N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
PubChem CID160774682
Molecular FormulaC39H39ClF3N7O6
Molecular Weight794.23 g/mol
Exact Mass793.26
IUPAC NameN-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccc([C@@H]3CNCCO3)c(Cl)c2)ccn1.O=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnn(-c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C21H19F3N4O3.C18H20ClN3O3/c22-18-9-14(1-6-17(18)19-11-25-7-8-30-19)27-20(29)13-10-26-28(12-13)15-2-4-16(5-3-15)31-21(23)24;1-2-24-17-9-12(5-6-21-17)18(23)22-13-3-4-14(15(19)10-13)16-11-20-7-8-25-16/h1-6,9-10,12,19,21,25H,7-8,11H2,(H,27,29);3-6,9-10,16,20H,2,7-8,11H2,1H3,(H,22,23)/t19-;16-/m10/s1
InChIKeyRZUBSIQXEKPQNI-VVRIKQGASA-N
XLogP6.57
TPSA149.89 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500794.23
LogP ≤ 56.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

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Related Compounds

N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 71086750
N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 71086795
N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 71086749
N-(3-chloro-4-morpholin-2-ylphenyl)-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 71086752
N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 71086794
1-[4-(difluoromethoxy)phenyl]-3-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 157184385
1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 157361906
4-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 157504046
N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide;N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-6-ethoxypyridine-3-carboxamide
CID 157853647
N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-ethoxypyridine-3-carboxamide
CID 157853648
N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;pyridine-3-carboxamide
CID 158182541
N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-6-cyanopyridine-2-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 158495287

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide (CID 160774682) is N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide is CCOc1cc(C(=O)Nc2ccc([C@@H]3CNCCO3)c(Cl)c2)ccn1.O=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnn(-c2ccc(OC(F)F)cc2)c1.
What is the InChIKey of N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The InChIKey is RZUBSIQXEKPQNI-VVRIKQGASA-N. The full InChI is InChI=1S/C21H19F3N4O3.C18H20ClN3O3/c22-18-9-14(1-6-17(18)19-11-25-7-8-30-19)27-20(29)13-10-26-28(12-13)15-2-4-16(5-3-15)31-21(23)24;1-2-24-17-9-12(5-6-21-17)18(23)22-13-3-4-14(15(19)10-13)16-11-20-7-8-25-16/h1-6,9-10,12,19,21,25H,7-8,11H2,(H,27,29);3-6,9-10,16,20H,2,7-8,11H2,1H3,(H,22,23)/t19-;16-/m10/s1.
What are the key properties of N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide has a molecular weight of 794.23 g/mol, XLogP of 6.57, 11 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 160774682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).