N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide

C27H23F4N7O3 — CID 58876801

IUPACN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
SMILESO=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(-c3cccc(O)c3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C27H23F4N7O3/c28-22-15-33-26(35-24(22)38-6-8-41-9-7-38)37-36-25(40)23-5-4-19(14-32-23)34-20-11-17(10-18(13-20)27(29,30)31)16-2-1-3-21(39)12-16/h1-5,10-15,34,39H,6-9H2,(H,36,40)(H,33,35,37)
InChIKeyVTFARIJDRFJGDS-UHFFFAOYSA-N
MW569.52 g/mol
LogP4.74
Rot. Bonds7

About N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide

N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide (PubChem CID 58876801) has the molecular formula C27H23F4N7O3 and a molecular weight of 569.52 g/mol. Its IUPAC name is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
PubChem CID58876801
Molecular FormulaC27H23F4N7O3
Molecular Weight569.52 g/mol
Exact Mass569.18
IUPAC NameN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
SMILESO=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(-c3cccc(O)c3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C27H23F4N7O3/c28-22-15-33-26(35-24(22)38-6-8-41-9-7-38)37-36-25(40)23-5-4-19(14-32-23)34-20-11-17(10-18(13-20)27(29,30)31)16-2-1-3-21(39)12-16/h1-5,10-15,34,39H,6-9H2,(H,36,40)(H,33,35,37)
InChIKeyVTFARIJDRFJGDS-UHFFFAOYSA-N
XLogP4.74
TPSA124.53 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.52
LogP ≤ 54.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

US11319299, Example 280
CID 137377204
3-[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol
CID 16739486
5-[3-chloro-5-(2-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
CID 57945881
3-[5-fluoro-2-[(2E)-2-[[5-[4-(3-hydroxyphenyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]benzamide
CID 57945887
4-[5-fluoro-2-[(2E)-2-[[5-[4-(3-hydroxyphenyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]benzamide
CID 57945905
5-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
CID 57945923
3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol
CID 57945930
3-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]carbamoyl]-3-pyridinyl]amino]-N-(3-hydroxyphenyl)benzamide
CID 57945937
3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-ylpyridin-3-yl]amino]-5-(trifluoromethyl)phenyl]phenol
CID 57945940
3-[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methylpyridin-3-yl]amino]-2-(trifluoromethyl)phenyl]phenol
CID 57945947
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]-2-methylbenzohydrazide
CID 57945991
3-[[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-methylphenyl]methyl]phenol
CID 57946021

Frequently Asked Questions

What is the IUPAC name of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?
The IUPAC name of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide (CID 58876801) is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?
The canonical SMILES for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide is O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(-c3cccc(O)c3)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?
The InChIKey is VTFARIJDRFJGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F4N7O3/c28-22-15-33-26(35-24(22)38-6-8-41-9-7-38)37-36-25(40)23-5-4-19(14-32-23)34-20-11-17(10-18(13-20)27(29,30)31)16-2-1-3-21(39)12-16/h1-5,10-15,34,39H,6-9H2,(H,36,40)(H,33,35,37).
What are the key properties of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide has a molecular weight of 569.52 g/mol, XLogP of 4.74, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide is sourced from PubChem (CID 58876801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).