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

C14H13ClN4O — CID 90288635

IUPAC2-chloro-7-[1-(2-methoxyethyl)pyrazol-4-yl]-1,5-naphthyridine
SMILESCOCCn1cc(-c2cnc3ccc(Cl)nc3c2)cn1
InChIInChI=1S/C14H13ClN4O/c1-20-5-4-19-9-11(8-17-19)10-6-13-12(16-7-10)2-3-14(15)18-13/h2-3,6-9H,4-5H2,1H3
InChIKeySCHCIMAWKYXNAZ-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.79
Rot. Bonds4

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

2-chloro-7-[1-(2-methoxyethyl)pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 90288635) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 2-chloro-7-[1-(2-methoxyethyl)pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-[1-(2-methoxyethyl)pyrazol-4-yl]-1,5-naphthyridine
PubChem CID90288635
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name2-chloro-7-[1-(2-methoxyethyl)pyrazol-4-yl]-1,5-naphthyridine
SMILESCOCCn1cc(-c2cnc3ccc(Cl)nc3c2)cn1
InChIInChI=1S/C14H13ClN4O/c1-20-5-4-19-9-11(8-17-19)10-6-13-12(16-7-10)2-3-14(15)18-13/h2-3,6-9H,4-5H2,1H3
InChIKeySCHCIMAWKYXNAZ-UHFFFAOYSA-N
XLogP2.79
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.79
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-(2-methoxyethyl)pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-[1-(2-methoxyethyl)pyrazol-4-yl]-1,5-naphthyridine (CID 90288635) is 2-chloro-7-[1-(2-methoxyethyl)pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-[1-(2-methoxyethyl)pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-[1-(2-methoxyethyl)pyrazol-4-yl]-1,5-naphthyridine is COCCn1cc(-c2cnc3ccc(Cl)nc3c2)cn1.
What is the InChIKey of 2-chloro-7-[1-(2-methoxyethyl)pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is SCHCIMAWKYXNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-20-5-4-19-9-11(8-17-19)10-6-13-12(16-7-10)2-3-14(15)18-13/h2-3,6-9H,4-5H2,1H3.
What are the key properties of 2-chloro-7-[1-(2-methoxyethyl)pyrazol-4-yl]-1,5-naphthyridine?
2-chloro-7-[1-(2-methoxyethyl)pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 288.74 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[1-(2-methoxyethyl)pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 90288635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).