N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide

C24H22FN9O2 — CID 58877036

IUPACN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide
SMILESO=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cccc(-c3ncccn3)c2)cn1
InChIInChI=1S/C24H22FN9O2/c25-19-15-29-24(31-22(19)34-9-11-36-12-10-34)33-32-23(35)20-6-5-18(14-28-20)30-17-4-1-3-16(13-17)21-26-7-2-8-27-21/h1-8,13-15,30H,9-12H2,(H,32,35)(H,29,31,33)
InChIKeyLLEVFCBRTARLFH-UHFFFAOYSA-N
MW487.50 g/mol
LogP2.80
Rot. Bonds7

About N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide

N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide (PubChem CID 58877036) has the molecular formula C24H22FN9O2 and a molecular weight of 487.50 g/mol. Its IUPAC name is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide
PubChem CID58877036
Molecular FormulaC24H22FN9O2
Molecular Weight487.50 g/mol
Exact Mass487.19
IUPAC NameN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide
SMILESO=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cccc(-c3ncccn3)c2)cn1
InChIInChI=1S/C24H22FN9O2/c25-19-15-29-24(31-22(19)34-9-11-36-12-10-34)33-32-23(35)20-6-5-18(14-28-20)30-17-4-1-3-16(13-17)21-26-7-2-8-27-21/h1-8,13-15,30H,9-12H2,(H,32,35)(H,29,31,33)
InChIKeyLLEVFCBRTARLFH-UHFFFAOYSA-N
XLogP2.80
TPSA130.08 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.50
LogP ≤ 52.80
H-Bond Donors ≤ 53
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-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide?
The IUPAC name of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide (CID 58877036) is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide.
What is the SMILES notation for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide?
The canonical SMILES for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide is O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cccc(-c3ncccn3)c2)cn1.
What is the InChIKey of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide?
The InChIKey is LLEVFCBRTARLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN9O2/c25-19-15-29-24(31-22(19)34-9-11-36-12-10-34)33-32-23(35)20-6-5-18(14-28-20)30-17-4-1-3-16(13-17)21-26-7-2-8-27-21/h1-8,13-15,30H,9-12H2,(H,32,35)(H,29,31,33).
What are the key properties of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide?
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide has a molecular weight of 487.50 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 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-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide is sourced from PubChem (CID 58877036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).