6-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-7-fluoro-2-propyl-4H-1,4-benzoxazin-3-one

C18H19ClFN3O3 — CID 90429630

IUPAC6-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-7-fluoro-2-propyl-4H-1,4-benzoxazin-3-one
SMILESCCCC1Oc2cc(F)c(-c3c(Cl)n4n(c3=O)CCCC4)cc2NC1=O
InChIInChI=1S/C18H19ClFN3O3/c1-2-5-13-17(24)21-12-8-10(11(20)9-14(12)26-13)15-16(19)22-6-3-4-7-23(22)18(15)25/h8-9,13H,2-7H2,1H3,(H,21,24)
InChIKeyFTVBOXVVINRPCJ-UHFFFAOYSA-N
MW379.82 g/mol
LogP3.40
Rot. Bonds3

About 6-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-7-fluoro-2-propyl-4H-1,4-benzoxazin-3-one

6-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-7-fluoro-2-propyl-4H-1,4-benzoxazin-3-one (PubChem CID 90429630) has the molecular formula C18H19ClFN3O3 and a molecular weight of 379.82 g/mol. Its IUPAC name is 6-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-7-fluoro-2-propyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-7-fluoro-2-propyl-4H-1,4-benzoxazin-3-one
PubChem CID90429630
Molecular FormulaC18H19ClFN3O3
Molecular Weight379.82 g/mol
Exact Mass379.11
IUPAC Name6-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-7-fluoro-2-propyl-4H-1,4-benzoxazin-3-one
SMILESCCCC1Oc2cc(F)c(-c3c(Cl)n4n(c3=O)CCCC4)cc2NC1=O
InChIInChI=1S/C18H19ClFN3O3/c1-2-5-13-17(24)21-12-8-10(11(20)9-14(12)26-13)15-16(19)22-6-3-4-7-23(22)18(15)25/h8-9,13H,2-7H2,1H3,(H,21,24)
InChIKeyFTVBOXVVINRPCJ-UHFFFAOYSA-N
XLogP3.40
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-7-fluoro-2-propyl-4H-1,4-benzoxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-7-fluoro-2-propyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-7-fluoro-2-propyl-4H-1,4-benzoxazin-3-one (CID 90429630) is 6-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-7-fluoro-2-propyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-7-fluoro-2-propyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-7-fluoro-2-propyl-4H-1,4-benzoxazin-3-one is CCCC1Oc2cc(F)c(-c3c(Cl)n4n(c3=O)CCCC4)cc2NC1=O.
What is the InChIKey of 6-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-7-fluoro-2-propyl-4H-1,4-benzoxazin-3-one?
The InChIKey is FTVBOXVVINRPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O3/c1-2-5-13-17(24)21-12-8-10(11(20)9-14(12)26-13)15-16(19)22-6-3-4-7-23(22)18(15)25/h8-9,13H,2-7H2,1H3,(H,21,24).
What are the key properties of 6-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-7-fluoro-2-propyl-4H-1,4-benzoxazin-3-one?
6-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-7-fluoro-2-propyl-4H-1,4-benzoxazin-3-one has a molecular weight of 379.82 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-7-fluoro-2-propyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 90429630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).