(6S)-N-(3-methoxypropyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

About (6S)-N-(3-methoxypropyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

(6S)-N-(3-methoxypropyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92739407) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is (6S)-N-(3-methoxypropyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name	(6S)-N-(3-methoxypropyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID	92739407
Molecular Formula	C25H28N4O3S
Molecular Weight	464.59 g/mol
Exact Mass	464.19
IUPAC Name	(6S)-N-(3-methoxypropyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILES	COCCCNC(=O)[C@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1c1cccc(SC)c1
InChI	InChI=1S/C25H28N4O3S/c1-25(24(31)26-13-8-14-32-2)17-28-22(16-21(27-28)18-9-5-4-6-10-18)23(30)29(25)19-11-7-12-20(15-19)33-3/h4-7,9-12,15-16H,8,13-14,17H2,1-3H3,(H,26,31)/t25-/m0/s1
InChIKey	IZTPYFMHGOQAGU-VWLOTQADSA-N
XLogP	3.84
TPSA	76.46 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.59
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3-methoxypropyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The IUPAC name of (6S)-N-(3-methoxypropyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92739407) is (6S)-N-(3-methoxypropyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

What is the SMILES notation for (6S)-N-(3-methoxypropyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The canonical SMILES for (6S)-N-(3-methoxypropyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COCCCNC(=O)[C@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1c1cccc(SC)c1.

What is the InChIKey of (6S)-N-(3-methoxypropyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The InChIKey is IZTPYFMHGOQAGU-VWLOTQADSA-N. The full InChI is InChI=1S/C25H28N4O3S/c1-25(24(31)26-13-8-14-32-2)17-28-22(16-21(27-28)18-9-5-4-6-10-18)23(30)29(25)19-11-7-12-20(15-19)33-3/h4-7,9-12,15-16H,8,13-14,17H2,1-3H3,(H,26,31)/t25-/m0/s1.

What are the key properties of (6S)-N-(3-methoxypropyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

(6S)-N-(3-methoxypropyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 464.59 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-(3-methoxypropyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92739407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).