(7R)-2-[(2,4-difluoroanilino)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C20H17F3N4O — CID 118575183

IUPAC(7R)-2-[(2,4-difluoroanilino)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(CNc3ccc(F)cc3F)nn21
InChIInChI=1S/C20H17F3N4O/c1-12-11-26(16-5-2-13(21)3-6-16)20(28)19-9-15(25-27(12)19)10-24-18-7-4-14(22)8-17(18)23/h2-9,12,24H,10-11H2,1H3/t12-/m1/s1
InChIKeyNRELPWXKSRHCCZ-GFCCVEGCSA-N
MW386.38 g/mol
LogP4.13
Rot. Bonds4

About (7R)-2-[(2,4-difluoroanilino)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

(7R)-2-[(2,4-difluoroanilino)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 118575183) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is (7R)-2-[(2,4-difluoroanilino)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7R)-2-[(2,4-difluoroanilino)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID118575183
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name(7R)-2-[(2,4-difluoroanilino)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(CNc3ccc(F)cc3F)nn21
InChIInChI=1S/C20H17F3N4O/c1-12-11-26(16-5-2-13(21)3-6-16)20(28)19-9-15(25-27(12)19)10-24-18-7-4-14(22)8-17(18)23/h2-9,12,24H,10-11H2,1H3/t12-/m1/s1
InChIKeyNRELPWXKSRHCCZ-GFCCVEGCSA-N
XLogP4.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-[(2,4-difluoroanilino)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7R)-2-[(2,4-difluoroanilino)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 118575183) is (7R)-2-[(2,4-difluoroanilino)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7R)-2-[(2,4-difluoroanilino)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7R)-2-[(2,4-difluoroanilino)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(CNc3ccc(F)cc3F)nn21.
What is the InChIKey of (7R)-2-[(2,4-difluoroanilino)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is NRELPWXKSRHCCZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H17F3N4O/c1-12-11-26(16-5-2-13(21)3-6-16)20(28)19-9-15(25-27(12)19)10-24-18-7-4-14(22)8-17(18)23/h2-9,12,24H,10-11H2,1H3/t12-/m1/s1.
What are the key properties of (7R)-2-[(2,4-difluoroanilino)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
(7R)-2-[(2,4-difluoroanilino)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 386.38 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-[(2,4-difluoroanilino)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 118575183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).