2-[2-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C27H21N7O2 — CID 59722976

About 2-[2-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

2-[2-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 59722976) has the molecular formula C27H21N7O2 and a molecular weight of 475.51 g/mol. Its IUPAC name is 2-[2-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: 2-[2-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 59722976
• Molecular Formula: C27H21N7O2
• Molecular Weight: 475.51 g/mol
• Exact Mass: 475.18
• IUPAC Name: 2-[2-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• SMILES: Cc1ccc(-c2cnc(Oc3ccc(-c4nccc(-c5cc6n(n5)CCNC6=O)n4)cc3)nc2)cc1
• InChI: InChI=1S/C27H21N7O2/c1-17-2-4-18(5-3-17)20-15-30-27(31-16-20)36-21-8-6-19(7-9-21)25-28-11-10-22(32-25)23-14-24-26(35)29-12-13-34(24)33-23/h2-11,14-16H,12-13H2,1H3,(H,29,35)
• InChIKey: XVTWDSJFVGAQON-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 107.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.51
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of 2-[2-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 59722976) is 2-[2-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for 2-[2-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for 2-[2-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is Cc1ccc(-c2cnc(Oc3ccc(-c4nccc(-c5cc6n(n5)CCNC6=O)n4)cc3)nc2)cc1.

What is the InChIKey of 2-[2-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is XVTWDSJFVGAQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N7O2/c1-17-2-4-18(5-3-17)20-15-30-27(31-16-20)36-21-8-6-19(7-9-21)25-28-11-10-22(32-25)23-14-24-26(35)29-12-13-34(24)33-23/h2-11,14-16H,12-13H2,1H3,(H,29,35).

What are the key properties of 2-[2-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

2-[2-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 475.51 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 59722976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).