2-[2-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C24H19Cl2N5O3 — CID 59722812

About 2-[2-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

2-[2-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 59722812) has the molecular formula C24H19Cl2N5O3 and a molecular weight of 496.35 g/mol. Its IUPAC name is 2-[2-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: 2-[2-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 59722812
• Molecular Formula: C24H19Cl2N5O3
• Molecular Weight: 496.35 g/mol
• Exact Mass: 495.09
• IUPAC Name: 2-[2-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• SMILES: COc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc(Cl)c1OCc1ccccc1Cl
• InChI: InChI=1S/C24H19Cl2N5O3/c1-33-21-11-15(10-17(26)22(21)34-13-14-4-2-3-5-16(14)25)23-27-7-6-18(29-23)19-12-20-24(32)28-8-9-31(20)30-19/h2-7,10-12H,8-9,13H2,1H3,(H,28,32)
• InChIKey: MJUXRCVIMBIQMG-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 91.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.35
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of 2-[2-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 59722812) is 2-[2-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for 2-[2-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for 2-[2-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is COc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc(Cl)c1OCc1ccccc1Cl.

What is the InChIKey of 2-[2-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is MJUXRCVIMBIQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N5O3/c1-33-21-11-15(10-17(26)22(21)34-13-14-4-2-3-5-16(14)25)23-27-7-6-18(29-23)19-12-20-24(32)28-8-9-31(20)30-19/h2-7,10-12H,8-9,13H2,1H3,(H,28,32).

What are the key properties of 2-[2-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

2-[2-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 496.35 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 59722812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).