N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide

C20H17FN6O2 — CID 118608326

IUPACN-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
SMILESCC(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn4c3COCC4)ccc2n1
InChIInChI=1S/C20H17FN6O2/c1-12(28)22-17-10-27-18(23-17)7-6-15(24-27)19-16-11-29-9-8-26(16)25-20(19)13-2-4-14(21)5-3-13/h2-7,10H,8-9,11H2,1H3,(H,22,28)
InChIKeyFMUNDEJAXNKYQC-UHFFFAOYSA-N
MW392.39 g/mol
LogP2.89
Rot. Bonds3

About N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide

N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide (PubChem CID 118608326) has the molecular formula C20H17FN6O2 and a molecular weight of 392.39 g/mol. Its IUPAC name is N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
PubChem CID118608326
Molecular FormulaC20H17FN6O2
Molecular Weight392.39 g/mol
Exact Mass392.14
IUPAC NameN-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
SMILESCC(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn4c3COCC4)ccc2n1
InChIInChI=1S/C20H17FN6O2/c1-12(28)22-17-10-27-18(23-17)7-6-15(24-27)19-16-11-29-9-8-26(16)25-20(19)13-2-4-14(21)5-3-13/h2-7,10H,8-9,11H2,1H3,(H,22,28)
InChIKeyFMUNDEJAXNKYQC-UHFFFAOYSA-N
XLogP2.89
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
The IUPAC name of N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide (CID 118608326) is N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide.
What is the SMILES notation for N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
The canonical SMILES for N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide is CC(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn4c3COCC4)ccc2n1.
What is the InChIKey of N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
The InChIKey is FMUNDEJAXNKYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O2/c1-12(28)22-17-10-27-18(23-17)7-6-15(24-27)19-16-11-29-9-8-26(16)25-20(19)13-2-4-14(21)5-3-13/h2-7,10H,8-9,11H2,1H3,(H,22,28).
What are the key properties of N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide has a molecular weight of 392.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide is sourced from PubChem (CID 118608326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).