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

C21H19F4N7O2 — CID 58876809

IUPACN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
SMILESO=C(NNc1ncc(F)c(N2CCOCC2)n1)c1cc(Nc2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C21H19F4N7O2/c22-16-12-27-20(29-18(16)32-6-8-34-9-7-32)31-30-19(33)17-11-15(4-5-26-17)28-14-3-1-2-13(10-14)21(23,24)25/h1-5,10-12H,6-9H2,(H,26,28)(H,30,33)(H,27,29,31)
InChIKeyMJOGLMMRPTYVPK-UHFFFAOYSA-N
MW477.42 g/mol
LogP3.37
Rot. Bonds6

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

N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide (PubChem CID 58876809) has the molecular formula C21H19F4N7O2 and a molecular weight of 477.42 g/mol. Its IUPAC name is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
PubChem CID58876809
Molecular FormulaC21H19F4N7O2
Molecular Weight477.42 g/mol
Exact Mass477.15
IUPAC NameN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
SMILESO=C(NNc1ncc(F)c(N2CCOCC2)n1)c1cc(Nc2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C21H19F4N7O2/c22-16-12-27-20(29-18(16)32-6-8-34-9-7-32)31-30-19(33)17-11-15(4-5-26-17)28-14-3-1-2-13(10-14)21(23,24)25/h1-5,10-12H,6-9H2,(H,26,28)(H,30,33)(H,27,29,31)
InChIKeyMJOGLMMRPTYVPK-UHFFFAOYSA-N
XLogP3.37
TPSA104.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.42
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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)-4-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?
The IUPAC name of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide (CID 58876809) is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?
The canonical SMILES for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide is O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1cc(Nc2cccc(C(F)(F)F)c2)ccn1.
What is the InChIKey of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?
The InChIKey is MJOGLMMRPTYVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N7O2/c22-16-12-27-20(29-18(16)32-6-8-34-9-7-32)31-30-19(33)17-11-15(4-5-26-17)28-14-3-1-2-13(10-14)21(23,24)25/h1-5,10-12H,6-9H2,(H,26,28)(H,30,33)(H,27,29,31).
What are the key properties of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide has a molecular weight of 477.42 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide is sourced from PubChem (CID 58876809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).