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

C27H24F4N8O3 — CID 58877299

IUPACN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyanilino)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
SMILESO=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(Nc3cccc(O)c3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C27H24F4N8O3/c28-22-15-33-26(36-24(22)39-6-8-42-9-7-39)38-37-25(41)23-5-4-18(14-32-23)35-20-11-16(27(29,30)31)10-19(12-20)34-17-2-1-3-21(40)13-17/h1-5,10-15,34-35,40H,6-9H2,(H,37,41)(H,33,36,38)
InChIKeyFTYGIPAOPQPESU-UHFFFAOYSA-N
MW584.53 g/mol
LogP4.82
Rot. Bonds8

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

N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyanilino)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide (PubChem CID 58877299) has the molecular formula C27H24F4N8O3 and a molecular weight of 584.53 g/mol. Its IUPAC name is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyanilino)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyanilino)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
PubChem CID58877299
Molecular FormulaC27H24F4N8O3
Molecular Weight584.53 g/mol
Exact Mass584.19
IUPAC NameN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyanilino)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
SMILESO=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(Nc3cccc(O)c3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C27H24F4N8O3/c28-22-15-33-26(36-24(22)39-6-8-42-9-7-39)38-37-25(41)23-5-4-18(14-32-23)35-20-11-16(27(29,30)31)10-19(12-20)34-17-2-1-3-21(40)13-17/h1-5,10-15,34-35,40H,6-9H2,(H,37,41)(H,33,36,38)
InChIKeyFTYGIPAOPQPESU-UHFFFAOYSA-N
XLogP4.82
TPSA136.56 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.53
LogP ≤ 54.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyanilino)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?
The IUPAC name of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyanilino)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide (CID 58877299) is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyanilino)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyanilino)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?
The canonical SMILES for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyanilino)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide is O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(Nc3cccc(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-hydroxyanilino)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?
The InChIKey is FTYGIPAOPQPESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F4N8O3/c28-22-15-33-26(36-24(22)39-6-8-42-9-7-39)38-37-25(41)23-5-4-18(14-32-23)35-20-11-16(27(29,30)31)10-19(12-20)34-17-2-1-3-21(40)13-17/h1-5,10-15,34-35,40H,6-9H2,(H,37,41)(H,33,36,38).
What are the key properties of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyanilino)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyanilino)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide has a molecular weight of 584.53 g/mol, XLogP of 4.82, 8 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyanilino)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide is sourced from PubChem (CID 58877299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).