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

C20H17ClN4O2 — CID 90289382

IUPAC2-chloro-7-[3-[(4-methoxyphenoxy)methyl]-1-methylpyrazol-4-yl]-1,5-naphthyridine
SMILESCOc1ccc(OCc2nn(C)cc2-c2cnc3ccc(Cl)nc3c2)cc1
InChIInChI=1S/C20H17ClN4O2/c1-25-11-16(13-9-18-17(22-10-13)7-8-20(21)23-18)19(24-25)12-27-15-5-3-14(26-2)4-6-15/h3-11H,12H2,1-2H3
InChIKeyQXNRNEMLPAUHSL-UHFFFAOYSA-N
MW380.84 g/mol
LogP4.27
Rot. Bonds5

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

2-chloro-7-[3-[(4-methoxyphenoxy)methyl]-1-methylpyrazol-4-yl]-1,5-naphthyridine (PubChem CID 90289382) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 2-chloro-7-[3-[(4-methoxyphenoxy)methyl]-1-methylpyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-[3-[(4-methoxyphenoxy)methyl]-1-methylpyrazol-4-yl]-1,5-naphthyridine
PubChem CID90289382
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name2-chloro-7-[3-[(4-methoxyphenoxy)methyl]-1-methylpyrazol-4-yl]-1,5-naphthyridine
SMILESCOc1ccc(OCc2nn(C)cc2-c2cnc3ccc(Cl)nc3c2)cc1
InChIInChI=1S/C20H17ClN4O2/c1-25-11-16(13-9-18-17(22-10-13)7-8-20(21)23-18)19(24-25)12-27-15-5-3-14(26-2)4-6-15/h3-11H,12H2,1-2H3
InChIKeyQXNRNEMLPAUHSL-UHFFFAOYSA-N
XLogP4.27
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 54.27
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-[3-[(4-methoxyphenoxy)methyl]-1-methylpyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-[3-[(4-methoxyphenoxy)methyl]-1-methylpyrazol-4-yl]-1,5-naphthyridine (CID 90289382) is 2-chloro-7-[3-[(4-methoxyphenoxy)methyl]-1-methylpyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-[3-[(4-methoxyphenoxy)methyl]-1-methylpyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-[3-[(4-methoxyphenoxy)methyl]-1-methylpyrazol-4-yl]-1,5-naphthyridine is COc1ccc(OCc2nn(C)cc2-c2cnc3ccc(Cl)nc3c2)cc1.
What is the InChIKey of 2-chloro-7-[3-[(4-methoxyphenoxy)methyl]-1-methylpyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is QXNRNEMLPAUHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-25-11-16(13-9-18-17(22-10-13)7-8-20(21)23-18)19(24-25)12-27-15-5-3-14(26-2)4-6-15/h3-11H,12H2,1-2H3.
What are the key properties of 2-chloro-7-[3-[(4-methoxyphenoxy)methyl]-1-methylpyrazol-4-yl]-1,5-naphthyridine?
2-chloro-7-[3-[(4-methoxyphenoxy)methyl]-1-methylpyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 380.84 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[3-[(4-methoxyphenoxy)methyl]-1-methylpyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 90289382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).