5-(2-hydroxyethyl)-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C27H23F3N4O4 — CID 118408324

About 5-(2-hydroxyethyl)-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-(2-hydroxyethyl)-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 118408324) has the molecular formula C27H23F3N4O4 and a molecular weight of 524.50 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: 5-(2-hydroxyethyl)-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 118408324
• Molecular Formula: C27H23F3N4O4
• Molecular Weight: 524.50 g/mol
• Exact Mass: 524.17
• IUPAC Name: 5-(2-hydroxyethyl)-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• SMILES: O=C1c2c(-c3ccc(OCc4ccc(OC(F)(F)F)cc4)cc3)c(-c3ccncc3)nn2CCN1CCO
• InChI: InChI=1S/C27H23F3N4O4/c28-27(29,30)38-22-5-1-18(2-6-22)17-37-21-7-3-19(4-8-21)23-24(20-9-11-31-12-10-20)32-34-14-13-33(15-16-35)26(36)25(23)34/h1-12,35H,13-17H2
• InChIKey: UYDPSMWURPGPLT-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 89.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.50
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of 5-(2-hydroxyethyl)-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 118408324) is 5-(2-hydroxyethyl)-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for 5-(2-hydroxyethyl)-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for 5-(2-hydroxyethyl)-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is O=C1c2c(-c3ccc(OCc4ccc(OC(F)(F)F)cc4)cc3)c(-c3ccncc3)nn2CCN1CCO.

What is the InChIKey of 5-(2-hydroxyethyl)-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is UYDPSMWURPGPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N4O4/c28-27(29,30)38-22-5-1-18(2-6-22)17-37-21-7-3-19(4-8-21)23-24(20-9-11-31-12-10-20)32-34-14-13-33(15-16-35)26(36)25(23)34/h1-12,35H,13-17H2.

What are the key properties of 5-(2-hydroxyethyl)-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

5-(2-hydroxyethyl)-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 524.50 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-hydroxyethyl)-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 118408324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).