1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one

C16H18N4O2 — CID 135967452

IUPAC1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one
SMILESCn1nc(CN2CC[C@@H](O)C2)c2c3ccccc3c(=O)[nH]c21
InChIInChI=1S/C16H18N4O2/c1-19-15-14(11-4-2-3-5-12(11)16(22)17-15)13(18-19)9-20-7-6-10(21)8-20/h2-5,10,21H,6-9H2,1H3,(H,17,22)/t10-/m1/s1
InChIKeyLVANENCISJEYBM-SNVBAGLBSA-N
MW298.35 g/mol
LogP0.98
Rot. Bonds2

About 1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one

1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one (PubChem CID 135967452) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one.

Molecular Properties

Compound Name1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one
PubChem CID135967452
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one
SMILESCn1nc(CN2CC[C@@H](O)C2)c2c3ccccc3c(=O)[nH]c21
InChIInChI=1S/C16H18N4O2/c1-19-15-14(11-4-2-3-5-12(11)16(22)17-15)13(18-19)9-20-7-6-10(21)8-20/h2-5,10,21H,6-9H2,1H3,(H,17,22)/t10-/m1/s1
InChIKeyLVANENCISJEYBM-SNVBAGLBSA-N
XLogP0.98
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The IUPAC name of 1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one (CID 135967452) is 1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one.
What is the SMILES notation for 1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The canonical SMILES for 1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one is Cn1nc(CN2CC[C@@H](O)C2)c2c3ccccc3c(=O)[nH]c21.
What is the InChIKey of 1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The InChIKey is LVANENCISJEYBM-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-19-15-14(11-4-2-3-5-12(11)16(22)17-15)13(18-19)9-20-7-6-10(21)8-20/h2-5,10,21H,6-9H2,1H3,(H,17,22)/t10-/m1/s1.
What are the key properties of 1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one?
1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one has a molecular weight of 298.35 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one is sourced from PubChem (CID 135967452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).