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

C29H30N4O4 — CID 118408122

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

5-(2-hydroxyethyl)-3-[4-[[4-(1-hydroxypropan-2-yl)phenyl]methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 118408122) has the molecular formula C29H30N4O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-3-[4-[[4-(1-hydroxypropan-2-yl)phenyl]methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: 5-(2-hydroxyethyl)-3-[4-[[4-(1-hydroxypropan-2-yl)phenyl]methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 118408122
• Molecular Formula: C29H30N4O4
• Molecular Weight: 498.58 g/mol
• Exact Mass: 498.23
• IUPAC Name: 5-(2-hydroxyethyl)-3-[4-[[4-(1-hydroxypropan-2-yl)phenyl]methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• SMILES: CC(CO)c1ccc(COc2ccc(-c3c(-c4ccncc4)nn4c3C(=O)N(CCO)CC4)cc2)cc1
• InChI: InChI=1S/C29H30N4O4/c1-20(18-35)22-4-2-21(3-5-22)19-37-25-8-6-23(7-9-25)26-27(24-10-12-30-13-11-24)31-33-15-14-32(16-17-34)29(36)28(26)33/h2-13,20,34-35H,14-19H2,1H3
• InChIKey: ANTZBWBIGGULOM-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 100.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.58
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-(2-hydroxyethyl)-3-[4-[[4-(1-hydroxypropan-2-yl)phenyl]methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 118408122) is 5-(2-hydroxyethyl)-3-[4-[[4-(1-hydroxypropan-2-yl)phenyl]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-[[4-(1-hydroxypropan-2-yl)phenyl]methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for 5-(2-hydroxyethyl)-3-[4-[[4-(1-hydroxypropan-2-yl)phenyl]methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CC(CO)c1ccc(COc2ccc(-c3c(-c4ccncc4)nn4c3C(=O)N(CCO)CC4)cc2)cc1.

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

The InChIKey is ANTZBWBIGGULOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O4/c1-20(18-35)22-4-2-21(3-5-22)19-37-25-8-6-23(7-9-25)26-27(24-10-12-30-13-11-24)31-33-15-14-32(16-17-34)29(36)28(26)33/h2-13,20,34-35H,14-19H2,1H3.

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

5-(2-hydroxyethyl)-3-[4-[[4-(1-hydroxypropan-2-yl)phenyl]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 3.73, 9 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-[[4-(1-hydroxypropan-2-yl)phenyl]methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 118408122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).