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

C25H24FN7O3 — CID 58876787

IUPACN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(furan-2-yl)-5-methylanilino]pyridine-2-carbohydrazide
SMILESCc1cc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccco2)c1
InChIInChI=1S/C25H24FN7O3/c1-16-11-17(22-3-2-8-36-22)13-19(12-16)29-18-4-5-21(27-14-18)24(34)31-32-25-28-15-20(26)23(30-25)33-6-9-35-10-7-33/h2-5,8,11-15,29H,6-7,9-10H2,1H3,(H,31,34)(H,28,30,32)
InChIKeySIIBREOXFBOAIV-UHFFFAOYSA-N
MW489.51 g/mol
LogP3.92
Rot. Bonds7

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

N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(furan-2-yl)-5-methylanilino]pyridine-2-carbohydrazide (PubChem CID 58876787) has the molecular formula C25H24FN7O3 and a molecular weight of 489.51 g/mol. Its IUPAC name is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(furan-2-yl)-5-methylanilino]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(furan-2-yl)-5-methylanilino]pyridine-2-carbohydrazide
PubChem CID58876787
Molecular FormulaC25H24FN7O3
Molecular Weight489.51 g/mol
Exact Mass489.19
IUPAC NameN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(furan-2-yl)-5-methylanilino]pyridine-2-carbohydrazide
SMILESCc1cc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccco2)c1
InChIInChI=1S/C25H24FN7O3/c1-16-11-17(22-3-2-8-36-22)13-19(12-16)29-18-4-5-21(27-14-18)24(34)31-32-25-28-15-20(26)23(30-25)33-6-9-35-10-7-33/h2-5,8,11-15,29H,6-7,9-10H2,1H3,(H,31,34)(H,28,30,32)
InChIKeySIIBREOXFBOAIV-UHFFFAOYSA-N
XLogP3.92
TPSA117.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.51
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

Las-38096
CID 11716665
5-{[4''-(2-Furyl)-4,5''-bipyrimidin-2''-yl]amino}nicotinonitrile
CID 11537425
4'-(2-furyl)-N-pyrazin-2-yl-4,5'-bipyrimidin-2'-amine
CID 11565927
4'-(2-furyl)-N-(6-methoxypyridin-3-yl)-4,5'-bipyrimidin-2'-amine
CID 11638790
4''-(2-furyl)-N-pyrimidin-5-yl-4,5''-bipyrimidin-2''-amine
CID 11659696
4''-(2-furyl)-N-(1-oxidopyridin-3-yl)-4,5''-bipyrimidin-2''-amine
CID 11667107
N-(3-(3-(5-((4-ethylpiperazin-1-yl)methyl)furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46880229
4-(furan-2-yl)-N-(2-methoxypyrimidin-5-yl)-5-pyrimidin-4-ylpyrimidin-2-amine
CID 16720105
5-[[4-(Furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1-methylpyridin-2-one
CID 16720106
N-(6-(furan-2-yl)-5-(pyrimidin-4-yl)pyridin-2-yl)acetamide
CID 46880332
4-(Furan-2-yl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2-carbohydrazide
CID 168281175
4-(1-Benzofuran-2-yl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2-carbohydrazide
CID 168287391

Frequently Asked Questions

What is the IUPAC name of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(furan-2-yl)-5-methylanilino]pyridine-2-carbohydrazide?
The IUPAC name of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(furan-2-yl)-5-methylanilino]pyridine-2-carbohydrazide (CID 58876787) is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(furan-2-yl)-5-methylanilino]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(furan-2-yl)-5-methylanilino]pyridine-2-carbohydrazide?
The canonical SMILES for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(furan-2-yl)-5-methylanilino]pyridine-2-carbohydrazide is Cc1cc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccco2)c1.
What is the InChIKey of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(furan-2-yl)-5-methylanilino]pyridine-2-carbohydrazide?
The InChIKey is SIIBREOXFBOAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O3/c1-16-11-17(22-3-2-8-36-22)13-19(12-16)29-18-4-5-21(27-14-18)24(34)31-32-25-28-15-20(26)23(30-25)33-6-9-35-10-7-33/h2-5,8,11-15,29H,6-7,9-10H2,1H3,(H,31,34)(H,28,30,32).
What are the key properties of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(furan-2-yl)-5-methylanilino]pyridine-2-carbohydrazide?
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(furan-2-yl)-5-methylanilino]pyridine-2-carbohydrazide has a molecular weight of 489.51 g/mol, XLogP of 3.92, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(furan-2-yl)-5-methylanilino]pyridine-2-carbohydrazide is sourced from PubChem (CID 58876787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).