5-(4-chloro-2-pyridinyl)-2-[[4-(difluoromethoxy)-N-methylanilino]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C20H18ClF2N5O2 — CID 134814149

About 5-(4-chloro-2-pyridinyl)-2-[[4-(difluoromethoxy)-N-methylanilino]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-(4-chloro-2-pyridinyl)-2-[[4-(difluoromethoxy)-N-methylanilino]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 134814149) has the molecular formula C20H18ClF2N5O2 and a molecular weight of 433.85 g/mol. Its IUPAC name is 5-(4-chloro-2-pyridinyl)-2-[[4-(difluoromethoxy)-N-methylanilino]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: 5-(4-chloro-2-pyridinyl)-2-[[4-(difluoromethoxy)-N-methylanilino]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 134814149
• Molecular Formula: C20H18ClF2N5O2
• Molecular Weight: 433.85 g/mol
• Exact Mass: 433.11
• IUPAC Name: 5-(4-chloro-2-pyridinyl)-2-[[4-(difluoromethoxy)-N-methylanilino]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• SMILES: CN(Cc1cc2n(n1)CCN(c1cc(Cl)ccn1)C2=O)c1ccc(OC(F)F)cc1
• InChI: InChI=1S/C20H18ClF2N5O2/c1-26(15-2-4-16(5-3-15)30-20(22)23)12-14-11-17-19(29)27(8-9-28(17)25-14)18-10-13(21)6-7-24-18/h2-7,10-11,20H,8-9,12H2,1H3
• InChIKey: HAOAIOTWEDGMQH-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 63.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.85
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-pyridinyl)-2-[[4-(difluoromethoxy)-N-methylanilino]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of 5-(4-chloro-2-pyridinyl)-2-[[4-(difluoromethoxy)-N-methylanilino]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 134814149) is 5-(4-chloro-2-pyridinyl)-2-[[4-(difluoromethoxy)-N-methylanilino]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for 5-(4-chloro-2-pyridinyl)-2-[[4-(difluoromethoxy)-N-methylanilino]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for 5-(4-chloro-2-pyridinyl)-2-[[4-(difluoromethoxy)-N-methylanilino]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CN(Cc1cc2n(n1)CCN(c1cc(Cl)ccn1)C2=O)c1ccc(OC(F)F)cc1.

What is the InChIKey of 5-(4-chloro-2-pyridinyl)-2-[[4-(difluoromethoxy)-N-methylanilino]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is HAOAIOTWEDGMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N5O2/c1-26(15-2-4-16(5-3-15)30-20(22)23)12-14-11-17-19(29)27(8-9-28(17)25-14)18-10-13(21)6-7-24-18/h2-7,10-11,20H,8-9,12H2,1H3.

What are the key properties of 5-(4-chloro-2-pyridinyl)-2-[[4-(difluoromethoxy)-N-methylanilino]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

5-(4-chloro-2-pyridinyl)-2-[[4-(difluoromethoxy)-N-methylanilino]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 433.85 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chloro-2-pyridinyl)-2-[[4-(difluoromethoxy)-N-methylanilino]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 134814149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).