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

C19H15ClN4O — CID 90289392

IUPAC2-chloro-7-[1-methyl-3-(phenoxymethyl)pyrazol-4-yl]-1,5-naphthyridine
SMILESCn1cc(-c2cnc3ccc(Cl)nc3c2)c(COc2ccccc2)n1
InChIInChI=1S/C19H15ClN4O/c1-24-11-15(18(23-24)12-25-14-5-3-2-4-6-14)13-9-17-16(21-10-13)7-8-19(20)22-17/h2-11H,12H2,1H3
InChIKeyCAYDZLVXSQIWLP-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.26
Rot. Bonds4

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

2-chloro-7-[1-methyl-3-(phenoxymethyl)pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 90289392) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 2-chloro-7-[1-methyl-3-(phenoxymethyl)pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-[1-methyl-3-(phenoxymethyl)pyrazol-4-yl]-1,5-naphthyridine
PubChem CID90289392
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name2-chloro-7-[1-methyl-3-(phenoxymethyl)pyrazol-4-yl]-1,5-naphthyridine
SMILESCn1cc(-c2cnc3ccc(Cl)nc3c2)c(COc2ccccc2)n1
InChIInChI=1S/C19H15ClN4O/c1-24-11-15(18(23-24)12-25-14-5-3-2-4-6-14)13-9-17-16(21-10-13)7-8-19(20)22-17/h2-11H,12H2,1H3
InChIKeyCAYDZLVXSQIWLP-UHFFFAOYSA-N
XLogP4.26
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.26
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-methyl-3-(phenoxymethyl)pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-[1-methyl-3-(phenoxymethyl)pyrazol-4-yl]-1,5-naphthyridine (CID 90289392) is 2-chloro-7-[1-methyl-3-(phenoxymethyl)pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-[1-methyl-3-(phenoxymethyl)pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-[1-methyl-3-(phenoxymethyl)pyrazol-4-yl]-1,5-naphthyridine is Cn1cc(-c2cnc3ccc(Cl)nc3c2)c(COc2ccccc2)n1.
What is the InChIKey of 2-chloro-7-[1-methyl-3-(phenoxymethyl)pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is CAYDZLVXSQIWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c1-24-11-15(18(23-24)12-25-14-5-3-2-4-6-14)13-9-17-16(21-10-13)7-8-19(20)22-17/h2-11H,12H2,1H3.
What are the key properties of 2-chloro-7-[1-methyl-3-(phenoxymethyl)pyrazol-4-yl]-1,5-naphthyridine?
2-chloro-7-[1-methyl-3-(phenoxymethyl)pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 350.81 g/mol, XLogP of 4.26, 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-methyl-3-(phenoxymethyl)pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 90289392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).