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

C17H16ClN5O2 — CID 90288987

IUPAC2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1)N1CCOCC1
InChIInChI=1S/C17H16ClN5O2/c18-16-2-1-14-15(21-16)7-12(8-19-14)13-9-20-23(10-13)11-17(24)22-3-5-25-6-4-22/h1-2,7-10H,3-6,11H2
InChIKeyWOQLRIGYWNURDD-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.01
Rot. Bonds3

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

2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-1-morpholin-4-ylethanone (PubChem CID 90288987) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-1-morpholin-4-ylethanone
PubChem CID90288987
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1)N1CCOCC1
InChIInChI=1S/C17H16ClN5O2/c18-16-2-1-14-15(21-16)7-12(8-19-14)13-9-20-23(10-13)11-17(24)22-3-5-25-6-4-22/h1-2,7-10H,3-6,11H2
InChIKeyWOQLRIGYWNURDD-UHFFFAOYSA-N
XLogP2.01
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.01
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-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-1-morpholin-4-ylethanone (CID 90288987) is 2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-1-morpholin-4-ylethanone is O=C(Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1)N1CCOCC1.
What is the InChIKey of 2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is WOQLRIGYWNURDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c18-16-2-1-14-15(21-16)7-12(8-19-14)13-9-20-23(10-13)11-17(24)22-3-5-25-6-4-22/h1-2,7-10H,3-6,11H2.
What are the key properties of 2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-1-morpholin-4-ylethanone?
2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 357.80 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 90288987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).