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

C17H19ClN4O2 — CID 90288459

IUPAC2-chloro-7-[1-[3-methoxy-2-(methoxymethyl)propyl]pyrazol-4-yl]-1,5-naphthyridine
SMILESCOCC(COC)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1
InChIInChI=1S/C17H19ClN4O2/c1-23-10-12(11-24-2)8-22-9-14(7-20-22)13-5-16-15(19-6-13)3-4-17(18)21-16/h3-7,9,12H,8,10-11H2,1-2H3
InChIKeyNJOLBSAXXPNNTE-UHFFFAOYSA-N
MW346.82 g/mol
LogP3.06
Rot. Bonds7

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

2-chloro-7-[1-[3-methoxy-2-(methoxymethyl)propyl]pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 90288459) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-chloro-7-[1-[3-methoxy-2-(methoxymethyl)propyl]pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-[1-[3-methoxy-2-(methoxymethyl)propyl]pyrazol-4-yl]-1,5-naphthyridine
PubChem CID90288459
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name2-chloro-7-[1-[3-methoxy-2-(methoxymethyl)propyl]pyrazol-4-yl]-1,5-naphthyridine
SMILESCOCC(COC)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1
InChIInChI=1S/C17H19ClN4O2/c1-23-10-12(11-24-2)8-22-9-14(7-20-22)13-5-16-15(19-6-13)3-4-17(18)21-16/h3-7,9,12H,8,10-11H2,1-2H3
InChIKeyNJOLBSAXXPNNTE-UHFFFAOYSA-N
XLogP3.06
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.06
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-[3-methoxy-2-(methoxymethyl)propyl]pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-[1-[3-methoxy-2-(methoxymethyl)propyl]pyrazol-4-yl]-1,5-naphthyridine (CID 90288459) is 2-chloro-7-[1-[3-methoxy-2-(methoxymethyl)propyl]pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-[1-[3-methoxy-2-(methoxymethyl)propyl]pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-[1-[3-methoxy-2-(methoxymethyl)propyl]pyrazol-4-yl]-1,5-naphthyridine is COCC(COC)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1.
What is the InChIKey of 2-chloro-7-[1-[3-methoxy-2-(methoxymethyl)propyl]pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is NJOLBSAXXPNNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-23-10-12(11-24-2)8-22-9-14(7-20-22)13-5-16-15(19-6-13)3-4-17(18)21-16/h3-7,9,12H,8,10-11H2,1-2H3.
What are the key properties of 2-chloro-7-[1-[3-methoxy-2-(methoxymethyl)propyl]pyrazol-4-yl]-1,5-naphthyridine?
2-chloro-7-[1-[3-methoxy-2-(methoxymethyl)propyl]pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 346.82 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[1-[3-methoxy-2-(methoxymethyl)propyl]pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 90288459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).