1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide

C41H41F3N10O5 — CID 159761032

IUPAC1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
SMILESCCOc1cccc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)cn2)n1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H23N5O3.C20H18F3N5O2/c1-2-28-20-5-3-4-19(25-20)26-14-16(12-23-26)21(27)24-17-8-6-15(7-9-17)18-13-22-10-11-29-18;21-20(22,23)18-9-16(5-6-25-18)28-12-14(10-26-28)19(29)27-15-3-1-13(2-4-15)17-11-24-7-8-30-17/h3-9,12,14,18,22H,2,10-11,13H2,1H3,(H,24,27);1-6,9-10,12,17,24H,7-8,11H2,(H,27,29)/t18-;17-/m11/s1
InChIKeyNEWOPTFYKYUQKL-BXONKRMDSA-N
MW810.84 g/mol
LogP5.78
Rot. Bonds10

About 1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide

1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide (PubChem CID 159761032) has the molecular formula C41H41F3N10O5 and a molecular weight of 810.84 g/mol. Its IUPAC name is 1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
PubChem CID159761032
Molecular FormulaC41H41F3N10O5
Molecular Weight810.84 g/mol
Exact Mass810.32
IUPAC Name1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
SMILESCCOc1cccc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)cn2)n1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H23N5O3.C20H18F3N5O2/c1-2-28-20-5-3-4-19(25-20)26-14-16(12-23-26)21(27)24-17-8-6-15(7-9-17)18-13-22-10-11-29-18;21-20(22,23)18-9-16(5-6-25-18)28-12-14(10-26-28)19(29)27-15-3-1-13(2-4-15)17-11-24-7-8-30-17/h3-9,12,14,18,22H,2,10-11,13H2,1H3,(H,24,27);1-6,9-10,12,17,24H,7-8,11H2,(H,27,29)/t18-;17-/m11/s1
InChIKeyNEWOPTFYKYUQKL-BXONKRMDSA-N
XLogP5.78
TPSA171.37 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500810.84
LogP ≤ 55.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyridin-4-yl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 90460650
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide
CID 73442329
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide
CID 73442330
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 73442502
2-amino-6-fluoro-N-[4-[2-methyl-6-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199752
1-methyl-N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazole-4-carboxamide
CID 91668757
1-(6-methoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 73442390
1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 73442392
US11780845, Example 643
CID 155310738
N-(2-phenoxyethyl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 17748383
6-(2-morpholin-4-ylethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]pyridine-3-carboxamide
CID 57861411
6-phenoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]pyridine-3-carboxamide
CID 57861851

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide (CID 159761032) is 1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide is CCOc1cccc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)cn2)n1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccnc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is NEWOPTFYKYUQKL-BXONKRMDSA-N. The full InChI is InChI=1S/C21H23N5O3.C20H18F3N5O2/c1-2-28-20-5-3-4-19(25-20)26-14-16(12-23-26)21(27)24-17-8-6-15(7-9-17)18-13-22-10-11-29-18;21-20(22,23)18-9-16(5-6-25-18)28-12-14(10-26-28)19(29)27-15-3-1-13(2-4-15)17-11-24-7-8-30-17/h3-9,12,14,18,22H,2,10-11,13H2,1H3,(H,24,27);1-6,9-10,12,17,24H,7-8,11H2,(H,27,29)/t18-;17-/m11/s1.
What are the key properties of 1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide?
1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 810.84 g/mol, XLogP of 5.78, 10 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 159761032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).