(7S)-3-[2-[6-amino-5-(methoxymethyl)-3-pyridinyl]ethynyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

About (7S)-3-[2-[6-amino-5-(methoxymethyl)-3-pyridinyl]ethynyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

(7S)-3-[2-[6-amino-5-(methoxymethyl)-3-pyridinyl]ethynyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 118861744) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is (7S)-3-[2-[6-amino-5-(methoxymethyl)-3-pyridinyl]ethynyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name	(7S)-3-[2-[6-amino-5-(methoxymethyl)-3-pyridinyl]ethynyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID	118861744
Molecular Formula	C23H20F3N5O2
Molecular Weight	455.44 g/mol
Exact Mass	455.16
IUPAC Name	(7S)-3-[2-[6-amino-5-(methoxymethyl)-3-pyridinyl]ethynyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILES	COCc1cc(C#Cc2cnn3c2C(=O)N(c2ccc(C(F)(F)F)cc2)C[C@@H]3C)cnc1N
InChI	InChI=1S/C23H20F3N5O2/c1-14-12-30(19-7-5-18(6-8-19)23(24,25)26)22(32)20-16(11-29-31(14)20)4-3-15-9-17(13-33-2)21(27)28-10-15/h5-11,14H,12-13H2,1-2H3,(H2,27,28)/t14-/m0/s1
InChIKey	XEVQDFZGXIBLAZ-AWEZNQCLSA-N
XLogP	3.65
TPSA	86.27 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.44
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (7S)-3-[2-[6-amino-5-(methoxymethyl)-3-pyridinyl]ethynyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of (7S)-3-[2-[6-amino-5-(methoxymethyl)-3-pyridinyl]ethynyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 118861744) is (7S)-3-[2-[6-amino-5-(methoxymethyl)-3-pyridinyl]ethynyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for (7S)-3-[2-[6-amino-5-(methoxymethyl)-3-pyridinyl]ethynyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for (7S)-3-[2-[6-amino-5-(methoxymethyl)-3-pyridinyl]ethynyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is COCc1cc(C#Cc2cnn3c2C(=O)N(c2ccc(C(F)(F)F)cc2)C[C@@H]3C)cnc1N.

What is the InChIKey of (7S)-3-[2-[6-amino-5-(methoxymethyl)-3-pyridinyl]ethynyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is XEVQDFZGXIBLAZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c1-14-12-30(19-7-5-18(6-8-19)23(24,25)26)22(32)20-16(11-29-31(14)20)4-3-15-9-17(13-33-2)21(27)28-10-15/h5-11,14H,12-13H2,1-2H3,(H2,27,28)/t14-/m0/s1.

What are the key properties of (7S)-3-[2-[6-amino-5-(methoxymethyl)-3-pyridinyl]ethynyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

(7S)-3-[2-[6-amino-5-(methoxymethyl)-3-pyridinyl]ethynyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 455.44 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-3-[2-[6-amino-5-(methoxymethyl)-3-pyridinyl]ethynyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 118861744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).