(7S)-3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C20H18F2N4O — CID 170712794

IUPAC(7S)-3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@H]1CN(c2ccc(C(F)(F)c3ccccc3)cc2)C(=O)c2c(N)cnn21
InChIInChI=1S/C20H18F2N4O/c1-13-12-25(19(27)18-17(23)11-24-26(13)18)16-9-7-15(8-10-16)20(21,22)14-5-3-2-4-6-14/h2-11,13H,12,23H2,1H3/t13-/m0/s1
InChIKeyVWVOGOBKFIMFBY-ZDUSSCGKSA-N
MW368.39 g/mol
LogP3.83
Rot. Bonds3

About (7S)-3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

(7S)-3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 170712794) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is (7S)-3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7S)-3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID170712794
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name(7S)-3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@H]1CN(c2ccc(C(F)(F)c3ccccc3)cc2)C(=O)c2c(N)cnn21
InChIInChI=1S/C20H18F2N4O/c1-13-12-25(19(27)18-17(23)11-24-26(13)18)16-9-7-15(8-10-16)20(21,22)14-5-3-2-4-6-14/h2-11,13H,12,23H2,1H3/t13-/m0/s1
InChIKeyVWVOGOBKFIMFBY-ZDUSSCGKSA-N
XLogP3.83
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 170713296
(7S)-3-(aminomethyl)-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 118700910
N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 118693863
(7S)-3-[(E)-hydroxyiminomethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 118696560
3-[1-(6-amino-2-pyridinyl)azetidin-3-yl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 126538564
4-methyl-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 118693704
(7S)-7-methyl-3-(2-(111C)methyl-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 159932786
(7S)-7-methyl-3-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 142598727
(7S)-7-methyl-3-quinoxalin-6-yl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 155661695
6-amino-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridazine-3-carboxamide
CID 118693839
(7S)-3-[2-(6-amino-3-pyridinyl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 157410456
N-[(7R)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide
CID 118693814

Frequently Asked Questions

What is the IUPAC name of (7S)-3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7S)-3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 170712794) is (7S)-3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7S)-3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7S)-3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is C[C@H]1CN(c2ccc(C(F)(F)c3ccccc3)cc2)C(=O)c2c(N)cnn21.
What is the InChIKey of (7S)-3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is VWVOGOBKFIMFBY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H18F2N4O/c1-13-12-25(19(27)18-17(23)11-24-26(13)18)16-9-7-15(8-10-16)20(21,22)14-5-3-2-4-6-14/h2-11,13H,12,23H2,1H3/t13-/m0/s1.
What are the key properties of (7S)-3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
(7S)-3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 368.39 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 170712794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).