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

C32H40N4O2 — CID 144930548

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

ethane;5-methyl-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 144930548) has the molecular formula C32H40N4O2 and a molecular weight of 512.70 g/mol. Its IUPAC name is ethane;5-methyl-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: ethane;5-methyl-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 144930548
• Molecular Formula: C32H40N4O2
• Molecular Weight: 512.70 g/mol
• Exact Mass: 512.32
• IUPAC Name: ethane;5-methyl-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• SMILES: CC.CC.CC(C)c1ccc(COc2ccc(-c3c(-c4ccncc4)nn4c3C(=O)N(C)CC4)cc2)cc1
• InChI: InChI=1S/C28H28N4O2.2C2H6/c1-19(2)21-6-4-20(5-7-21)18-34-24-10-8-22(9-11-24)25-26(23-12-14-29-15-13-23)30-32-17-16-31(3)28(33)27(25)32;2*1-2/h4-15,19H,16-18H2,1-3H3;2*1-2H3
• InChIKey: ZGPZMFAAXCHYQE-UHFFFAOYSA-N
• XLogP: 7.45
• TPSA: 60.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.70
LogP ≤ 5	7.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of ethane;5-methyl-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 144930548) is ethane;5-methyl-3-[4-[(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 ethane;5-methyl-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for ethane;5-methyl-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CC.CC.CC(C)c1ccc(COc2ccc(-c3c(-c4ccncc4)nn4c3C(=O)N(C)CC4)cc2)cc1.

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

The InChIKey is ZGPZMFAAXCHYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2.2C2H6/c1-19(2)21-6-4-20(5-7-21)18-34-24-10-8-22(9-11-24)25-26(23-12-14-29-15-13-23)30-32-17-16-31(3)28(33)27(25)32;2*1-2/h4-15,19H,16-18H2,1-3H3;2*1-2H3.

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

ethane;5-methyl-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 512.70 g/mol, XLogP of 7.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;5-methyl-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 144930548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).