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

C19H22ClN5O — CID 90288842

IUPAC4-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]butan-2-yl]morpholine
SMILESCC(CCn1cc(-c2cnc3ccc(Cl)nc3c2)cn1)N1CCOCC1
InChIInChI=1S/C19H22ClN5O/c1-14(24-6-8-26-9-7-24)4-5-25-13-16(12-22-25)15-10-18-17(21-11-15)2-3-19(20)23-18/h2-3,10-14H,4-9H2,1H3
InChIKeyLVROLPBRTMKENU-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.26
Rot. Bonds5

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

4-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]butan-2-yl]morpholine (PubChem CID 90288842) has the molecular formula C19H22ClN5O and a molecular weight of 371.87 g/mol. Its IUPAC name is 4-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]butan-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]butan-2-yl]morpholine
PubChem CID90288842
Molecular FormulaC19H22ClN5O
Molecular Weight371.87 g/mol
Exact Mass371.15
IUPAC Name4-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]butan-2-yl]morpholine
SMILESCC(CCn1cc(-c2cnc3ccc(Cl)nc3c2)cn1)N1CCOCC1
InChIInChI=1S/C19H22ClN5O/c1-14(24-6-8-26-9-7-24)4-5-25-13-16(12-22-25)15-10-18-17(21-11-15)2-3-19(20)23-18/h2-3,10-14H,4-9H2,1H3
InChIKeyLVROLPBRTMKENU-UHFFFAOYSA-N
XLogP3.26
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.26
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 4-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]butan-2-yl]morpholine?
The IUPAC name of 4-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]butan-2-yl]morpholine (CID 90288842) is 4-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]butan-2-yl]morpholine.
What is the SMILES notation for 4-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]butan-2-yl]morpholine?
The canonical SMILES for 4-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]butan-2-yl]morpholine is CC(CCn1cc(-c2cnc3ccc(Cl)nc3c2)cn1)N1CCOCC1.
What is the InChIKey of 4-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]butan-2-yl]morpholine?
The InChIKey is LVROLPBRTMKENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O/c1-14(24-6-8-26-9-7-24)4-5-25-13-16(12-22-25)15-10-18-17(21-11-15)2-3-19(20)23-18/h2-3,10-14H,4-9H2,1H3.
What are the key properties of 4-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]butan-2-yl]morpholine?
4-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]butan-2-yl]morpholine has a molecular weight of 371.87 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]butan-2-yl]morpholine is sourced from PubChem (CID 90288842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).