2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(3-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C19H15F4N5O2 — CID 118575175

IUPAC2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(3-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(CNc3ccc(OC(F)F)cc3F)nn2CCN1c1ncccc1F
InChIInChI=1S/C19H15F4N5O2/c20-13-2-1-5-24-17(13)27-6-7-28-16(18(27)29)8-11(26-28)10-25-15-4-3-12(9-14(15)21)30-19(22)23/h1-5,8-9,19,25H,6-7,10H2
InChIKeyMHUMYWLROXOTFK-UHFFFAOYSA-N
MW421.35 g/mol
LogP3.43
Rot. Bonds6

About 2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(3-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(3-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 118575175) has the molecular formula C19H15F4N5O2 and a molecular weight of 421.35 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(3-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(3-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID118575175
Molecular FormulaC19H15F4N5O2
Molecular Weight421.35 g/mol
Exact Mass421.12
IUPAC Name2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(3-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(CNc3ccc(OC(F)F)cc3F)nn2CCN1c1ncccc1F
InChIInChI=1S/C19H15F4N5O2/c20-13-2-1-5-24-17(13)27-6-7-28-16(18(27)29)8-11(26-28)10-25-15-4-3-12(9-14(15)21)30-19(22)23/h1-5,8-9,19,25H,6-7,10H2
InChIKeyMHUMYWLROXOTFK-UHFFFAOYSA-N
XLogP3.43
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(3-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(3-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 118575175) is 2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(3-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(3-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(3-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is O=C1c2cc(CNc3ccc(OC(F)F)cc3F)nn2CCN1c1ncccc1F.
What is the InChIKey of 2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(3-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is MHUMYWLROXOTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N5O2/c20-13-2-1-5-24-17(13)27-6-7-28-16(18(27)29)8-11(26-28)10-25-15-4-3-12(9-14(15)21)30-19(22)23/h1-5,8-9,19,25H,6-7,10H2.
What are the key properties of 2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(3-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(3-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 421.35 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(3-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 118575175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).