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

C18H14ClN5O — CID 90289178

IUPAC2-chloro-7-[1-methyl-3-(pyridin-2-yloxymethyl)pyrazol-4-yl]-1,5-naphthyridine
SMILESCn1cc(-c2cnc3ccc(Cl)nc3c2)c(COc2ccccn2)n1
InChIInChI=1S/C18H14ClN5O/c1-24-10-13(16(23-24)11-25-18-4-2-3-7-20-18)12-8-15-14(21-9-12)5-6-17(19)22-15/h2-10H,11H2,1H3
InChIKeyUGWWWEOIANVAMV-UHFFFAOYSA-N
MW351.80 g/mol
LogP3.66
Rot. Bonds4

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

2-chloro-7-[1-methyl-3-(pyridin-2-yloxymethyl)pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 90289178) has the molecular formula C18H14ClN5O and a molecular weight of 351.80 g/mol. Its IUPAC name is 2-chloro-7-[1-methyl-3-(pyridin-2-yloxymethyl)pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-[1-methyl-3-(pyridin-2-yloxymethyl)pyrazol-4-yl]-1,5-naphthyridine
PubChem CID90289178
Molecular FormulaC18H14ClN5O
Molecular Weight351.80 g/mol
Exact Mass351.09
IUPAC Name2-chloro-7-[1-methyl-3-(pyridin-2-yloxymethyl)pyrazol-4-yl]-1,5-naphthyridine
SMILESCn1cc(-c2cnc3ccc(Cl)nc3c2)c(COc2ccccn2)n1
InChIInChI=1S/C18H14ClN5O/c1-24-10-13(16(23-24)11-25-18-4-2-3-7-20-18)12-8-15-14(21-9-12)5-6-17(19)22-15/h2-10H,11H2,1H3
InChIKeyUGWWWEOIANVAMV-UHFFFAOYSA-N
XLogP3.66
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 53.66
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-methyl-3-(pyridin-2-yloxymethyl)pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-[1-methyl-3-(pyridin-2-yloxymethyl)pyrazol-4-yl]-1,5-naphthyridine (CID 90289178) is 2-chloro-7-[1-methyl-3-(pyridin-2-yloxymethyl)pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-[1-methyl-3-(pyridin-2-yloxymethyl)pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-[1-methyl-3-(pyridin-2-yloxymethyl)pyrazol-4-yl]-1,5-naphthyridine is Cn1cc(-c2cnc3ccc(Cl)nc3c2)c(COc2ccccn2)n1.
What is the InChIKey of 2-chloro-7-[1-methyl-3-(pyridin-2-yloxymethyl)pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is UGWWWEOIANVAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O/c1-24-10-13(16(23-24)11-25-18-4-2-3-7-20-18)12-8-15-14(21-9-12)5-6-17(19)22-15/h2-10H,11H2,1H3.
What are the key properties of 2-chloro-7-[1-methyl-3-(pyridin-2-yloxymethyl)pyrazol-4-yl]-1,5-naphthyridine?
2-chloro-7-[1-methyl-3-(pyridin-2-yloxymethyl)pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 351.80 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[1-methyl-3-(pyridin-2-yloxymethyl)pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 90289178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).