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

C17H18ClN5O — CID 90287792

IUPAC4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine
SMILESClc1ccc2ncc(-c3cnn(CCN4CCOCC4)c3)cc2n1
InChIInChI=1S/C17H18ClN5O/c18-17-2-1-15-16(21-17)9-13(10-19-15)14-11-20-23(12-14)4-3-22-5-7-24-8-6-22/h1-2,9-12H,3-8H2
InChIKeyPTZRXBVANIJQGB-UHFFFAOYSA-N
MW343.82 g/mol
LogP2.48
Rot. Bonds4

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

4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine (PubChem CID 90287792) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is 4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine
PubChem CID90287792
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine
SMILESClc1ccc2ncc(-c3cnn(CCN4CCOCC4)c3)cc2n1
InChIInChI=1S/C17H18ClN5O/c18-17-2-1-15-16(21-17)9-13(10-19-15)14-11-20-23(12-14)4-3-22-5-7-24-8-6-22/h1-2,9-12H,3-8H2
InChIKeyPTZRXBVANIJQGB-UHFFFAOYSA-N
XLogP2.48
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 52.48
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-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine (CID 90287792) is 4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine is Clc1ccc2ncc(-c3cnn(CCN4CCOCC4)c3)cc2n1.
What is the InChIKey of 4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine?
The InChIKey is PTZRXBVANIJQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c18-17-2-1-15-16(21-17)9-13(10-19-15)14-11-20-23(12-14)4-3-22-5-7-24-8-6-22/h1-2,9-12H,3-8H2.
What are the key properties of 4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine?
4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine has a molecular weight of 343.82 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 90287792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).