2-chloro-7-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine

C16H15ClN4O — CID 90288522

IUPAC2-chloro-7-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine
SMILESClc1ccc2ncc(-c3cnn(C4CCOCC4)c3)cc2n1
InChIInChI=1S/C16H15ClN4O/c17-16-2-1-14-15(20-16)7-11(8-18-14)12-9-19-21(10-12)13-3-5-22-6-4-13/h1-2,7-10,13H,3-6H2
InChIKeyGLKUCMZYHFZORW-UHFFFAOYSA-N
MW314.78 g/mol
LogP3.50
Rot. Bonds2

About 2-chloro-7-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine

2-chloro-7-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 90288522) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is 2-chloro-7-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine
PubChem CID90288522
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name2-chloro-7-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine
SMILESClc1ccc2ncc(-c3cnn(C4CCOCC4)c3)cc2n1
InChIInChI=1S/C16H15ClN4O/c17-16-2-1-14-15(20-16)7-11(8-18-14)12-9-19-21(10-12)13-3-5-22-6-4-13/h1-2,7-10,13H,3-6H2
InChIKeyGLKUCMZYHFZORW-UHFFFAOYSA-N
XLogP3.50
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-chloro-7-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine (CID 90288522) is 2-chloro-7-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine is Clc1ccc2ncc(-c3cnn(C4CCOCC4)c3)cc2n1.
What is the InChIKey of 2-chloro-7-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is GLKUCMZYHFZORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c17-16-2-1-14-15(20-16)7-11(8-18-14)12-9-19-21(10-12)13-3-5-22-6-4-13/h1-2,7-10,13H,3-6H2.
What are the key properties of 2-chloro-7-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine?
2-chloro-7-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 314.78 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 90288522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).