2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C19H16F3N5O2 — CID 118575167

IUPAC2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(CNc3ccc(OC(F)F)cc3F)nn2CCN1c1ccccn1
InChIInChI=1S/C19H16F3N5O2/c20-14-10-13(29-19(21)22)4-5-15(14)24-11-12-9-16-18(28)26(7-8-27(16)25-12)17-3-1-2-6-23-17/h1-6,9-10,19,24H,7-8,11H2
InChIKeyFHQWOXATDDYFDQ-UHFFFAOYSA-N
MW403.36 g/mol
LogP3.29
Rot. Bonds6

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

2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 118575167) has the molecular formula C19H16F3N5O2 and a molecular weight of 403.36 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID118575167
Molecular FormulaC19H16F3N5O2
Molecular Weight403.36 g/mol
Exact Mass403.13
IUPAC Name2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(CNc3ccc(OC(F)F)cc3F)nn2CCN1c1ccccn1
InChIInChI=1S/C19H16F3N5O2/c20-14-10-13(29-19(21)22)4-5-15(14)24-11-12-9-16-18(28)26(7-8-27(16)25-12)17-3-1-2-6-23-17/h1-6,9-10,19,24H,7-8,11H2
InChIKeyFHQWOXATDDYFDQ-UHFFFAOYSA-N
XLogP3.29
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 53.29
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-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 118575167) is 2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is O=C1c2cc(CNc3ccc(OC(F)F)cc3F)nn2CCN1c1ccccn1.
What is the InChIKey of 2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is FHQWOXATDDYFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O2/c20-14-10-13(29-19(21)22)4-5-15(14)24-11-12-9-16-18(28)26(7-8-27(16)25-12)17-3-1-2-6-23-17/h1-6,9-10,19,24H,7-8,11H2.
What are the key properties of 2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 403.36 g/mol, XLogP of 3.29, 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-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 118575167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).