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

C29H30N4O4 — CID 118408298

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

5-(2-hydroxyethyl)-3-[4-[(3-hydroxy-4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 118408298) has the molecular formula C29H30N4O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-3-[4-[(3-hydroxy-4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: 5-(2-hydroxyethyl)-3-[4-[(3-hydroxy-4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 118408298
• Molecular Formula: C29H30N4O4
• Molecular Weight: 498.58 g/mol
• Exact Mass: 498.23
• IUPAC Name: 5-(2-hydroxyethyl)-3-[4-[(3-hydroxy-4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• SMILES: CC(C)c1ccc(COc2ccc(-c3c(-c4ccncc4)nn4c3C(=O)N(CCO)CC4)cc2)cc1O
• InChI: InChI=1S/C29H30N4O4/c1-19(2)24-8-3-20(17-25(24)35)18-37-23-6-4-21(5-7-23)26-27(22-9-11-30-12-10-22)31-33-14-13-32(15-16-34)29(36)28(26)33/h3-12,17,19,34-35H,13-16,18H2,1-2H3
• InChIKey: NIAGNIGQDIFJRZ-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 100.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.58
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-(2-hydroxyethyl)-3-[4-[(3-hydroxy-4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 118408298) is 5-(2-hydroxyethyl)-3-[4-[(3-hydroxy-4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

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

The canonical SMILES for 5-(2-hydroxyethyl)-3-[4-[(3-hydroxy-4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CC(C)c1ccc(COc2ccc(-c3c(-c4ccncc4)nn4c3C(=O)N(CCO)CC4)cc2)cc1O.

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

The InChIKey is NIAGNIGQDIFJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O4/c1-19(2)24-8-3-20(17-25(24)35)18-37-23-6-4-21(5-7-23)26-27(22-9-11-30-12-10-22)31-33-14-13-32(15-16-34)29(36)28(26)33/h3-12,17,19,34-35H,13-16,18H2,1-2H3.

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

5-(2-hydroxyethyl)-3-[4-[(3-hydroxy-4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 498.58 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-hydroxyethyl)-3-[4-[(3-hydroxy-4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 118408298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).