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

C18H19ClN4O2 — CID 90288658

IUPAC2-chloro-7-[1-[2-(oxan-4-yloxy)ethyl]pyrazol-4-yl]-1,5-naphthyridine
SMILESClc1ccc2ncc(-c3cnn(CCOC4CCOCC4)c3)cc2n1
InChIInChI=1S/C18H19ClN4O2/c19-18-2-1-16-17(22-18)9-13(10-20-16)14-11-21-23(12-14)5-8-25-15-3-6-24-7-4-15/h1-2,9-12,15H,3-8H2
InChIKeyFNEKXXXSHKSVGG-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.34
Rot. Bonds5

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

2-chloro-7-[1-[2-(oxan-4-yloxy)ethyl]pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 90288658) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 2-chloro-7-[1-[2-(oxan-4-yloxy)ethyl]pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-[1-[2-(oxan-4-yloxy)ethyl]pyrazol-4-yl]-1,5-naphthyridine
PubChem CID90288658
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name2-chloro-7-[1-[2-(oxan-4-yloxy)ethyl]pyrazol-4-yl]-1,5-naphthyridine
SMILESClc1ccc2ncc(-c3cnn(CCOC4CCOCC4)c3)cc2n1
InChIInChI=1S/C18H19ClN4O2/c19-18-2-1-16-17(22-18)9-13(10-20-16)14-11-21-23(12-14)5-8-25-15-3-6-24-7-4-15/h1-2,9-12,15H,3-8H2
InChIKeyFNEKXXXSHKSVGG-UHFFFAOYSA-N
XLogP3.34
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.34
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 2-chloro-7-[1-[2-(oxan-4-yloxy)ethyl]pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-[1-[2-(oxan-4-yloxy)ethyl]pyrazol-4-yl]-1,5-naphthyridine (CID 90288658) is 2-chloro-7-[1-[2-(oxan-4-yloxy)ethyl]pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-[1-[2-(oxan-4-yloxy)ethyl]pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-[1-[2-(oxan-4-yloxy)ethyl]pyrazol-4-yl]-1,5-naphthyridine is Clc1ccc2ncc(-c3cnn(CCOC4CCOCC4)c3)cc2n1.
What is the InChIKey of 2-chloro-7-[1-[2-(oxan-4-yloxy)ethyl]pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is FNEKXXXSHKSVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c19-18-2-1-16-17(22-18)9-13(10-20-16)14-11-21-23(12-14)5-8-25-15-3-6-24-7-4-15/h1-2,9-12,15H,3-8H2.
What are the key properties of 2-chloro-7-[1-[2-(oxan-4-yloxy)ethyl]pyrazol-4-yl]-1,5-naphthyridine?
2-chloro-7-[1-[2-(oxan-4-yloxy)ethyl]pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 358.83 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[1-[2-(oxan-4-yloxy)ethyl]pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 90288658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).