4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-methoxypropyl]morpholine

C19H22ClN5O2 — CID 90289278

IUPAC4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-methoxypropyl]morpholine
SMILESCOC(CN1CCOCC1)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1
InChIInChI=1S/C19H22ClN5O2/c1-26-16(12-24-4-6-27-7-5-24)13-25-11-15(10-22-25)14-8-18-17(21-9-14)2-3-19(20)23-18/h2-3,8-11,16H,4-7,12-13H2,1H3
InChIKeyJFGLKZWWRJLAPN-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.49
Rot. Bonds6

About 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-methoxypropyl]morpholine

4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-methoxypropyl]morpholine (PubChem CID 90289278) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-methoxypropyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-methoxypropyl]morpholine
PubChem CID90289278
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC Name4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-methoxypropyl]morpholine
SMILESCOC(CN1CCOCC1)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1
InChIInChI=1S/C19H22ClN5O2/c1-26-16(12-24-4-6-27-7-5-24)13-25-11-15(10-22-25)14-8-18-17(21-9-14)2-3-19(20)23-18/h2-3,8-11,16H,4-7,12-13H2,1H3
InChIKeyJFGLKZWWRJLAPN-UHFFFAOYSA-N
XLogP2.49
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-methoxypropyl]morpholine?
The IUPAC name of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-methoxypropyl]morpholine (CID 90289278) is 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-methoxypropyl]morpholine.
What is the SMILES notation for 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-methoxypropyl]morpholine?
The canonical SMILES for 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-methoxypropyl]morpholine is COC(CN1CCOCC1)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1.
What is the InChIKey of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-methoxypropyl]morpholine?
The InChIKey is JFGLKZWWRJLAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c1-26-16(12-24-4-6-27-7-5-24)13-25-11-15(10-22-25)14-8-18-17(21-9-14)2-3-19(20)23-18/h2-3,8-11,16H,4-7,12-13H2,1H3.
What are the key properties of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-methoxypropyl]morpholine?
4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-methoxypropyl]morpholine has a molecular weight of 387.87 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-methoxypropyl]morpholine is sourced from PubChem (CID 90289278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).