1-[2-(4-methoxyphenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one

C22H22N4O2 — CID 170328188

About 1-[2-(4-methoxyphenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one

1-[2-(4-methoxyphenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one (PubChem CID 170328188) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 1-[2-(4-methoxyphenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one
• PubChem CID: 170328188
• Molecular Formula: C22H22N4O2
• Molecular Weight: 374.44 g/mol
• Exact Mass: 374.17
• IUPAC Name: 1-[2-(4-methoxyphenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CCn2nc(-c3ccc(OC)cc3)c(-c3ccncc3)c2C1C
• InChI: InChI=1S/C22H22N4O2/c1-4-19(27)25-13-14-26-22(15(25)2)20(16-9-11-23-12-10-16)21(24-26)17-5-7-18(28-3)8-6-17/h4-12,15H,1,13-14H2,2-3H3
• InChIKey: LXONFJRLSYTZNO-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 60.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.44
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one?

The IUPAC name of 1-[2-(4-methoxyphenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one (CID 170328188) is 1-[2-(4-methoxyphenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one.

What is the SMILES notation for 1-[2-(4-methoxyphenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one?

The canonical SMILES for 1-[2-(4-methoxyphenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one is C=CC(=O)N1CCn2nc(-c3ccc(OC)cc3)c(-c3ccncc3)c2C1C.

What is the InChIKey of 1-[2-(4-methoxyphenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one?

The InChIKey is LXONFJRLSYTZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-4-19(27)25-13-14-26-22(15(25)2)20(16-9-11-23-12-10-16)21(24-26)17-5-7-18(28-3)8-6-17/h4-12,15H,1,13-14H2,2-3H3.

What are the key properties of 1-[2-(4-methoxyphenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one?

1-[2-(4-methoxyphenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one has a molecular weight of 374.44 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-methoxyphenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one is sourced from PubChem (CID 170328188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).