2-chloro-7-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine

C14H13ClN4O — CID 90287908

IUPAC2-chloro-7-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine
SMILESCOCc1nn(C)cc1-c1cnc2ccc(Cl)nc2c1
InChIInChI=1S/C14H13ClN4O/c1-19-7-10(13(18-19)8-20-2)9-5-12-11(16-6-9)3-4-14(15)17-12/h3-7H,8H2,1-2H3
InChIKeyOMAZNELYGNMCMZ-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.83
Rot. Bonds3

About 2-chloro-7-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine

2-chloro-7-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine (PubChem CID 90287908) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 2-chloro-7-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine
PubChem CID90287908
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name2-chloro-7-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine
SMILESCOCc1nn(C)cc1-c1cnc2ccc(Cl)nc2c1
InChIInChI=1S/C14H13ClN4O/c1-19-7-10(13(18-19)8-20-2)9-5-12-11(16-6-9)3-4-14(15)17-12/h3-7H,8H2,1-2H3
InChIKeyOMAZNELYGNMCMZ-UHFFFAOYSA-N
XLogP2.83
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.83
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-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine (CID 90287908) is 2-chloro-7-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine is COCc1nn(C)cc1-c1cnc2ccc(Cl)nc2c1.
What is the InChIKey of 2-chloro-7-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is OMAZNELYGNMCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-19-7-10(13(18-19)8-20-2)9-5-12-11(16-6-9)3-4-14(15)17-12/h3-7H,8H2,1-2H3.
What are the key properties of 2-chloro-7-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine?
2-chloro-7-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 288.74 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 90287908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).