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

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

(6S)-5-[(2-methoxyphenyl)methyl]-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92739409) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is (6S)-5-[(2-methoxyphenyl)methyl]-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name	(6S)-5-[(2-methoxyphenyl)methyl]-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID	92739409
Molecular Formula	C26H30N4O4
Molecular Weight	462.55 g/mol
Exact Mass	462.23
IUPAC Name	(6S)-5-[(2-methoxyphenyl)methyl]-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILES	COCCCNC(=O)[C@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1Cc1ccccc1OC
InChI	InChI=1S/C26H30N4O4/c1-26(25(32)27-14-9-15-33-2)18-30-22(16-21(28-30)19-10-5-4-6-11-19)24(31)29(26)17-20-12-7-8-13-23(20)34-3/h4-8,10-13,16H,9,14-15,17-18H2,1-3H3,(H,27,32)/t26-/m0/s1
InChIKey	MXNVTWKNQHABNG-SANMLTNESA-N
XLogP	3.13
TPSA	85.69 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	9
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.55
LogP ≤ 5	3.13
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)-5-[(2-methoxyphenyl)methyl]-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The IUPAC name of (6S)-5-[(2-methoxyphenyl)methyl]-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92739409) is (6S)-5-[(2-methoxyphenyl)methyl]-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

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

The canonical SMILES for (6S)-5-[(2-methoxyphenyl)methyl]-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COCCCNC(=O)[C@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1Cc1ccccc1OC.

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

The InChIKey is MXNVTWKNQHABNG-SANMLTNESA-N. The full InChI is InChI=1S/C26H30N4O4/c1-26(25(32)27-14-9-15-33-2)18-30-22(16-21(28-30)19-10-5-4-6-11-19)24(31)29(26)17-20-12-7-8-13-23(20)34-3/h4-8,10-13,16H,9,14-15,17-18H2,1-3H3,(H,27,32)/t26-/m0/s1.

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

(6S)-5-[(2-methoxyphenyl)methyl]-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-5-[(2-methoxyphenyl)methyl]-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92739409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).