6-[2-(5-fluoro-2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-propan-2-ylpyridazin-3-one

C20H18FN5O2 — CID 139950226

IUPAC6-[2-(5-fluoro-2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-propan-2-ylpyridazin-3-one
SMILESCOc1ccc(F)cc1-c1nn2ccncc2c1-c1ccc(=O)n(C(C)C)n1
InChIInChI=1S/C20H18FN5O2/c1-12(2)26-18(27)7-5-15(23-26)19-16-11-22-8-9-25(16)24-20(19)14-10-13(21)4-6-17(14)28-3/h4-12H,1-3H3
InChIKeyXRMSRBFQYQLGAM-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.35
Rot. Bonds4

About 6-[2-(5-fluoro-2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-propan-2-ylpyridazin-3-one

6-[2-(5-fluoro-2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-propan-2-ylpyridazin-3-one (PubChem CID 139950226) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 6-[2-(5-fluoro-2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-[2-(5-fluoro-2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-propan-2-ylpyridazin-3-one
PubChem CID139950226
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name6-[2-(5-fluoro-2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-propan-2-ylpyridazin-3-one
SMILESCOc1ccc(F)cc1-c1nn2ccncc2c1-c1ccc(=O)n(C(C)C)n1
InChIInChI=1S/C20H18FN5O2/c1-12(2)26-18(27)7-5-15(23-26)19-16-11-22-8-9-25(16)24-20(19)14-10-13(21)4-6-17(14)28-3/h4-12H,1-3H3
InChIKeyXRMSRBFQYQLGAM-UHFFFAOYSA-N
XLogP3.35
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-fluoro-2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 6-[2-(5-fluoro-2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-propan-2-ylpyridazin-3-one (CID 139950226) is 6-[2-(5-fluoro-2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-[2-(5-fluoro-2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 6-[2-(5-fluoro-2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-propan-2-ylpyridazin-3-one is COc1ccc(F)cc1-c1nn2ccncc2c1-c1ccc(=O)n(C(C)C)n1.
What is the InChIKey of 6-[2-(5-fluoro-2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-propan-2-ylpyridazin-3-one?
The InChIKey is XRMSRBFQYQLGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-12(2)26-18(27)7-5-15(23-26)19-16-11-22-8-9-25(16)24-20(19)14-10-13(21)4-6-17(14)28-3/h4-12H,1-3H3.
What are the key properties of 6-[2-(5-fluoro-2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-propan-2-ylpyridazin-3-one?
6-[2-(5-fluoro-2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-propan-2-ylpyridazin-3-one has a molecular weight of 379.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-fluoro-2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 139950226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).