N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide

C24H24FN9O2 — CID 58876732

IUPACN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide
SMILESCc1cn(-c2cccc(Nc3ccc(C(=O)NNc4ncc(F)c(N5CCOCC5)n4)nc3)c2)cn1
InChIInChI=1S/C24H24FN9O2/c1-16-14-34(15-28-16)19-4-2-3-17(11-19)29-18-5-6-21(26-12-18)23(35)31-32-24-27-13-20(25)22(30-24)33-7-9-36-10-8-33/h2-6,11-15,29H,7-10H2,1H3,(H,31,35)(H,27,30,32)
InChIKeyAGIAHYZFILGMBN-UHFFFAOYSA-N
MW489.52 g/mol
LogP2.84
Rot. Bonds7

About N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide

N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide (PubChem CID 58876732) has the molecular formula C24H24FN9O2 and a molecular weight of 489.52 g/mol. Its IUPAC name is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide
PubChem CID58876732
Molecular FormulaC24H24FN9O2
Molecular Weight489.52 g/mol
Exact Mass489.20
IUPAC NameN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide
SMILESCc1cn(-c2cccc(Nc3ccc(C(=O)NNc4ncc(F)c(N5CCOCC5)n4)nc3)c2)cn1
InChIInChI=1S/C24H24FN9O2/c1-16-14-34(15-28-16)19-4-2-3-17(11-19)29-18-5-6-21(26-12-18)23(35)31-32-24-27-13-20(25)22(30-24)33-7-9-36-10-8-33/h2-6,11-15,29H,7-10H2,1H3,(H,31,35)(H,27,30,32)
InChIKeyAGIAHYZFILGMBN-UHFFFAOYSA-N
XLogP2.84
TPSA122.12 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.52
LogP ≤ 52.84
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-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide?
The IUPAC name of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide (CID 58876732) is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide?
The canonical SMILES for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide is Cc1cn(-c2cccc(Nc3ccc(C(=O)NNc4ncc(F)c(N5CCOCC5)n4)nc3)c2)cn1.
What is the InChIKey of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide?
The InChIKey is AGIAHYZFILGMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN9O2/c1-16-14-34(15-28-16)19-4-2-3-17(11-19)29-18-5-6-21(26-12-18)23(35)31-32-24-27-13-20(25)22(30-24)33-7-9-36-10-8-33/h2-6,11-15,29H,7-10H2,1H3,(H,31,35)(H,27,30,32).
What are the key properties of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide?
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide has a molecular weight of 489.52 g/mol, XLogP of 2.84, 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-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide is sourced from PubChem (CID 58876732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).