2-[[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one

C22H26N4O2 — CID 91760391

IUPAC2-[[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
SMILESCc1c[nH]c(CN2CCn3nc(C(O)Cc4ccccc4)cc3C2)c(C)c1=O
InChIInChI=1S/C22H26N4O2/c1-15-12-23-20(16(2)22(15)28)14-25-8-9-26-18(13-25)11-19(24-26)21(27)10-17-6-4-3-5-7-17/h3-7,11-12,21,27H,8-10,13-14H2,1-2H3,(H,23,28)
InChIKeyLUUMXDGMKOHKDN-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.48
Rot. Bonds5

About 2-[[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one

2-[[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one (PubChem CID 91760391) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
PubChem CID91760391
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-[[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
SMILESCc1c[nH]c(CN2CCn3nc(C(O)Cc4ccccc4)cc3C2)c(C)c1=O
InChIInChI=1S/C22H26N4O2/c1-15-12-23-20(16(2)22(15)28)14-25-8-9-26-18(13-25)11-19(24-26)21(27)10-17-6-4-3-5-7-17/h3-7,11-12,21,27H,8-10,13-14H2,1-2H3,(H,23,28)
InChIKeyLUUMXDGMKOHKDN-UHFFFAOYSA-N
XLogP2.48
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one?
The IUPAC name of 2-[[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one (CID 91760391) is 2-[[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 2-[[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 2-[[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one is Cc1c[nH]c(CN2CCn3nc(C(O)Cc4ccccc4)cc3C2)c(C)c1=O.
What is the InChIKey of 2-[[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one?
The InChIKey is LUUMXDGMKOHKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-12-23-20(16(2)22(15)28)14-25-8-9-26-18(13-25)11-19(24-26)21(27)10-17-6-4-3-5-7-17/h3-7,11-12,21,27H,8-10,13-14H2,1-2H3,(H,23,28).
What are the key properties of 2-[[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one?
2-[[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one has a molecular weight of 378.48 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 91760391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).