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

C24H22FN9O2 — CID 58876798

IUPACN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide
SMILESO=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-c3ncccn3)cc2)cn1
InChIInChI=1S/C24H22FN9O2/c25-19-15-29-24(31-22(19)34-10-12-36-13-11-34)33-32-23(35)20-7-6-18(14-28-20)30-17-4-2-16(3-5-17)21-26-8-1-9-27-21/h1-9,14-15,30H,10-13H2,(H,32,35)(H,29,31,33)
InChIKeyGNWJUEDJUNUMMK-UHFFFAOYSA-N
MW487.50 g/mol
LogP2.80
Rot. Bonds7

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

N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide (PubChem CID 58876798) 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-(4-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide
PubChem CID58876798
Molecular FormulaC24H22FN9O2
Molecular Weight487.50 g/mol
Exact Mass487.19
IUPAC NameN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide
SMILESO=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-c3ncccn3)cc2)cn1
InChIInChI=1S/C24H22FN9O2/c25-19-15-29-24(31-22(19)34-10-12-36-13-11-34)33-32-23(35)20-7-6-18(14-28-20)30-17-4-2-16(3-5-17)21-26-8-1-9-27-21/h1-9,14-15,30H,10-13H2,(H,32,35)(H,29,31,33)
InChIKeyGNWJUEDJUNUMMK-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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Related Compounds

N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide
CID 58876710
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide
CID 58877249
5-[4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
CID 58877083
ethane;ethylcyclohexane;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-methylanilino)pyridine-2-carbohydrazide
CID 143430991
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(2-methyl-3,6-dihydro-1H-pyridazin-3-yl)anilino]pyridine-2-carbohydrazide
CID 143727603
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-methyl-5-(oxolan-2-yl)anilino]pyridine-2-carbohydrazide
CID 149461350
5-[3-chloro-5-[(3-hydroxyanilino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
CID 170125496
5-[3-chloro-5-[(3E,5Z)-octa-3,5,7-trien-4-yl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
CID 143471143
N'-(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)-5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide
CID 143470929
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[4-(3-hydroxyphenyl)anilino]-2-propylbenzohydrazide
CID 58877030
5-[3-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[(3-hydroxyphenyl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-methylanilino]pyridine-2-carbohydrazide
CID 158275388
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methoxy-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
CID 58877338

Frequently Asked Questions

What is the IUPAC name of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide?
The IUPAC name of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide (CID 58876798) is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide.
What is the SMILES notation for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide?
The canonical SMILES for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide is O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-c3ncccn3)cc2)cn1.
What is the InChIKey of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide?
The InChIKey is GNWJUEDJUNUMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN9O2/c25-19-15-29-24(31-22(19)34-10-12-36-13-11-34)33-32-23(35)20-7-6-18(14-28-20)30-17-4-2-16(3-5-17)21-26-8-1-9-27-21/h1-9,14-15,30H,10-13H2,(H,32,35)(H,29,31,33).
What are the key properties of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide?
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-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-(4-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide is sourced from PubChem (CID 58876798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).