4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-fluoropropyl]morpholine

C18H19ClFN5O — CID 90289423

IUPAC4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-fluoropropyl]morpholine
SMILESFC(CN1CCOCC1)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1
InChIInChI=1S/C18H19ClFN5O/c19-18-2-1-16-17(23-18)7-13(8-21-16)14-9-22-25(10-14)12-15(20)11-24-3-5-26-6-4-24/h1-2,7-10,15H,3-6,11-12H2
InChIKeyZBVHYPYDYTZPKC-UHFFFAOYSA-N
MW375.84 g/mol
LogP2.82
Rot. Bonds5

About 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-fluoropropyl]morpholine

4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-fluoropropyl]morpholine (PubChem CID 90289423) has the molecular formula C18H19ClFN5O and a molecular weight of 375.84 g/mol. Its IUPAC name is 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-fluoropropyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-fluoropropyl]morpholine
PubChem CID90289423
Molecular FormulaC18H19ClFN5O
Molecular Weight375.84 g/mol
Exact Mass375.13
IUPAC Name4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-fluoropropyl]morpholine
SMILESFC(CN1CCOCC1)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1
InChIInChI=1S/C18H19ClFN5O/c19-18-2-1-16-17(23-18)7-13(8-21-16)14-9-22-25(10-14)12-15(20)11-24-3-5-26-6-4-24/h1-2,7-10,15H,3-6,11-12H2
InChIKeyZBVHYPYDYTZPKC-UHFFFAOYSA-N
XLogP2.82
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-fluoropropyl]morpholine?
The IUPAC name of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-fluoropropyl]morpholine (CID 90289423) is 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-fluoropropyl]morpholine.
What is the SMILES notation for 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-fluoropropyl]morpholine?
The canonical SMILES for 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-fluoropropyl]morpholine is FC(CN1CCOCC1)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1.
What is the InChIKey of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-fluoropropyl]morpholine?
The InChIKey is ZBVHYPYDYTZPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN5O/c19-18-2-1-16-17(23-18)7-13(8-21-16)14-9-22-25(10-14)12-15(20)11-24-3-5-26-6-4-24/h1-2,7-10,15H,3-6,11-12H2.
What are the key properties of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-fluoropropyl]morpholine?
4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-fluoropropyl]morpholine has a molecular weight of 375.84 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-fluoropropyl]morpholine is sourced from PubChem (CID 90289423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).