2-[(6-chloropyridazin-4-yl)oxymethyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C17H13ClFN5O2 — CID 88537885

IUPAC2-[(6-chloropyridazin-4-yl)oxymethyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(COc3cnnc(Cl)c3)nn2CCN1c1ccc(F)cc1
InChIInChI=1S/C17H13ClFN5O2/c18-16-8-14(9-20-21-16)26-10-12-7-15-17(25)23(5-6-24(15)22-12)13-3-1-11(19)2-4-13/h1-4,7-9H,5-6,10H2
InChIKeySOYAJUJFIYSPEE-UHFFFAOYSA-N
MW373.78 g/mol
LogP2.70
Rot. Bonds4

About 2-[(6-chloropyridazin-4-yl)oxymethyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

2-[(6-chloropyridazin-4-yl)oxymethyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 88537885) has the molecular formula C17H13ClFN5O2 and a molecular weight of 373.78 g/mol. Its IUPAC name is 2-[(6-chloropyridazin-4-yl)oxymethyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[(6-chloropyridazin-4-yl)oxymethyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID88537885
Molecular FormulaC17H13ClFN5O2
Molecular Weight373.78 g/mol
Exact Mass373.07
IUPAC Name2-[(6-chloropyridazin-4-yl)oxymethyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(COc3cnnc(Cl)c3)nn2CCN1c1ccc(F)cc1
InChIInChI=1S/C17H13ClFN5O2/c18-16-8-14(9-20-21-16)26-10-12-7-15-17(25)23(5-6-24(15)22-12)13-3-1-11(19)2-4-13/h1-4,7-9H,5-6,10H2
InChIKeySOYAJUJFIYSPEE-UHFFFAOYSA-N
XLogP2.70
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.78
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyridazin-4-yl)oxymethyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[(6-chloropyridazin-4-yl)oxymethyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 88537885) is 2-[(6-chloropyridazin-4-yl)oxymethyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[(6-chloropyridazin-4-yl)oxymethyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[(6-chloropyridazin-4-yl)oxymethyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is O=C1c2cc(COc3cnnc(Cl)c3)nn2CCN1c1ccc(F)cc1.
What is the InChIKey of 2-[(6-chloropyridazin-4-yl)oxymethyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is SOYAJUJFIYSPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN5O2/c18-16-8-14(9-20-21-16)26-10-12-7-15-17(25)23(5-6-24(15)22-12)13-3-1-11(19)2-4-13/h1-4,7-9H,5-6,10H2.
What are the key properties of 2-[(6-chloropyridazin-4-yl)oxymethyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
2-[(6-chloropyridazin-4-yl)oxymethyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 373.78 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyridazin-4-yl)oxymethyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 88537885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).