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

C24H25ClFN7O3 — CID 58877033

IUPAC5-[3-chloro-4-(oxolan-2-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
SMILESO=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(C3CCCO3)c(Cl)c2)cn1
InChIInChI=1S/C24H25ClFN7O3/c25-18-12-15(3-5-17(18)21-2-1-9-36-21)29-16-4-6-20(27-13-16)23(34)31-32-24-28-14-19(26)22(30-24)33-7-10-35-11-8-33/h3-6,12-14,21,29H,1-2,7-11H2,(H,31,34)(H,28,30,32)
InChIKeyIETVPITYZFGDRU-UHFFFAOYSA-N
MW513.96 g/mol
LogP3.85
Rot. Bonds7

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

5-[3-chloro-4-(oxolan-2-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide (PubChem CID 58877033) has the molecular formula C24H25ClFN7O3 and a molecular weight of 513.96 g/mol. Its IUPAC name is 5-[3-chloro-4-(oxolan-2-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide.

Molecular Properties

Compound Name5-[3-chloro-4-(oxolan-2-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
PubChem CID58877033
Molecular FormulaC24H25ClFN7O3
Molecular Weight513.96 g/mol
Exact Mass513.17
IUPAC Name5-[3-chloro-4-(oxolan-2-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
SMILESO=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(C3CCCO3)c(Cl)c2)cn1
InChIInChI=1S/C24H25ClFN7O3/c25-18-12-15(3-5-17(18)21-2-1-9-36-21)29-16-4-6-20(27-13-16)23(34)31-32-24-28-14-19(26)22(30-24)33-7-10-35-11-8-33/h3-6,12-14,21,29H,1-2,7-11H2,(H,31,34)(H,28,30,32)
InChIKeyIETVPITYZFGDRU-UHFFFAOYSA-N
XLogP3.85
TPSA113.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.96
LogP ≤ 53.85
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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Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-4-(oxolan-2-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?
The IUPAC name of 5-[3-chloro-4-(oxolan-2-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide (CID 58877033) is 5-[3-chloro-4-(oxolan-2-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide.
What is the SMILES notation for 5-[3-chloro-4-(oxolan-2-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?
The canonical SMILES for 5-[3-chloro-4-(oxolan-2-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide is O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(C3CCCO3)c(Cl)c2)cn1.
What is the InChIKey of 5-[3-chloro-4-(oxolan-2-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?
The InChIKey is IETVPITYZFGDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN7O3/c25-18-12-15(3-5-17(18)21-2-1-9-36-21)29-16-4-6-20(27-13-16)23(34)31-32-24-28-14-19(26)22(30-24)33-7-10-35-11-8-33/h3-6,12-14,21,29H,1-2,7-11H2,(H,31,34)(H,28,30,32).
What are the key properties of 5-[3-chloro-4-(oxolan-2-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?
5-[3-chloro-4-(oxolan-2-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide has a molecular weight of 513.96 g/mol, XLogP of 3.85, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-4-(oxolan-2-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide is sourced from PubChem (CID 58877033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).