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

C20H18F2N4O — CID 118575068

IUPAC(7R)-2-[(2-fluoroanilino)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(CNc3ccccc3F)nn21
InChIInChI=1S/C20H18F2N4O/c1-13-12-25(16-8-6-14(21)7-9-16)20(27)19-10-15(24-26(13)19)11-23-18-5-3-2-4-17(18)22/h2-10,13,23H,11-12H2,1H3/t13-/m1/s1
InChIKeyMEZILEUDZJNPPK-CYBMUJFWSA-N
MW368.39 g/mol
LogP3.99
Rot. Bonds4

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

(7R)-2-[(2-fluoroanilino)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 118575068) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is (7R)-2-[(2-fluoroanilino)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7R)-2-[(2-fluoroanilino)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID118575068
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name(7R)-2-[(2-fluoroanilino)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(CNc3ccccc3F)nn21
InChIInChI=1S/C20H18F2N4O/c1-13-12-25(16-8-6-14(21)7-9-16)20(27)19-10-15(24-26(13)19)11-23-18-5-3-2-4-17(18)22/h2-10,13,23H,11-12H2,1H3/t13-/m1/s1
InChIKeyMEZILEUDZJNPPK-CYBMUJFWSA-N
XLogP3.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-[(2-fluoroanilino)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7R)-2-[(2-fluoroanilino)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 118575068) is (7R)-2-[(2-fluoroanilino)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7R)-2-[(2-fluoroanilino)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7R)-2-[(2-fluoroanilino)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(CNc3ccccc3F)nn21.
What is the InChIKey of (7R)-2-[(2-fluoroanilino)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is MEZILEUDZJNPPK-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H18F2N4O/c1-13-12-25(16-8-6-14(21)7-9-16)20(27)19-10-15(24-26(13)19)11-23-18-5-3-2-4-17(18)22/h2-10,13,23H,11-12H2,1H3/t13-/m1/s1.
What are the key properties of (7R)-2-[(2-fluoroanilino)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
(7R)-2-[(2-fluoroanilino)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 368.39 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-[(2-fluoroanilino)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 118575068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).