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

C24H28FN9O2 — CID 58876792

IUPAC5-[4-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
SMILESO=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(N3CCCCN3)cc2)cn1
InChIInChI=1S/C24H28FN9O2/c25-20-16-27-24(30-22(20)33-11-13-36-14-12-33)32-31-23(35)21-8-5-18(15-26-21)29-17-3-6-19(7-4-17)34-10-2-1-9-28-34/h3-8,15-16,28-29H,1-2,9-14H2,(H,31,35)(H,27,30,32)
InChIKeyRQRZVWJQGDTLGP-UHFFFAOYSA-N
MW493.55 g/mol
LogP2.45
Rot. Bonds7

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

5-[4-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide (PubChem CID 58876792) has the molecular formula C24H28FN9O2 and a molecular weight of 493.55 g/mol. Its IUPAC name is 5-[4-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide.

Molecular Properties

Compound Name5-[4-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
PubChem CID58876792
Molecular FormulaC24H28FN9O2
Molecular Weight493.55 g/mol
Exact Mass493.23
IUPAC Name5-[4-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
SMILESO=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(N3CCCCN3)cc2)cn1
InChIInChI=1S/C24H28FN9O2/c25-20-16-27-24(30-22(20)33-11-13-36-14-12-33)32-31-23(35)21-8-5-18(15-26-21)29-17-3-6-19(7-4-17)34-10-2-1-9-28-34/h3-8,15-16,28-29H,1-2,9-14H2,(H,31,35)(H,27,30,32)
InChIKeyRQRZVWJQGDTLGP-UHFFFAOYSA-N
XLogP2.45
TPSA119.57 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.55
LogP ≤ 52.45
H-Bond Donors ≤ 54
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 5-[4-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?
The IUPAC name of 5-[4-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide (CID 58876792) is 5-[4-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide.
What is the SMILES notation for 5-[4-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?
The canonical SMILES for 5-[4-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide is O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(N3CCCCN3)cc2)cn1.
What is the InChIKey of 5-[4-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?
The InChIKey is RQRZVWJQGDTLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN9O2/c25-20-16-27-24(30-22(20)33-11-13-36-14-12-33)32-31-23(35)21-8-5-18(15-26-21)29-17-3-6-19(7-4-17)34-10-2-1-9-28-34/h3-8,15-16,28-29H,1-2,9-14H2,(H,31,35)(H,27,30,32).
What are the key properties of 5-[4-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?
5-[4-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide has a molecular weight of 493.55 g/mol, XLogP of 2.45, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide is sourced from PubChem (CID 58876792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).