3-methyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4H-pyrazolo[5,4-c]isoquinolin-5-one

C23H22N4O — CID 135967466

IUPAC3-methyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4H-pyrazolo[5,4-c]isoquinolin-5-one
SMILESCn1nc(CN2CC=C(c3ccccc3)CC2)c2c3ccccc3c(=O)[nH]c21
InChIInChI=1S/C23H22N4O/c1-26-22-21(18-9-5-6-10-19(18)23(28)24-22)20(25-26)15-27-13-11-17(12-14-27)16-7-3-2-4-8-16/h2-11H,12-15H2,1H3,(H,24,28)
InChIKeyXGHSPKQVYKAFPV-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.70
Rot. Bonds3

About 3-methyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4H-pyrazolo[5,4-c]isoquinolin-5-one

3-methyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4H-pyrazolo[5,4-c]isoquinolin-5-one (PubChem CID 135967466) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-methyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4H-pyrazolo[5,4-c]isoquinolin-5-one.

Molecular Properties

Compound Name3-methyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4H-pyrazolo[5,4-c]isoquinolin-5-one
PubChem CID135967466
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name3-methyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4H-pyrazolo[5,4-c]isoquinolin-5-one
SMILESCn1nc(CN2CC=C(c3ccccc3)CC2)c2c3ccccc3c(=O)[nH]c21
InChIInChI=1S/C23H22N4O/c1-26-22-21(18-9-5-6-10-19(18)23(28)24-22)20(25-26)15-27-13-11-17(12-14-27)16-7-3-2-4-8-16/h2-11H,12-15H2,1H3,(H,24,28)
InChIKeyXGHSPKQVYKAFPV-UHFFFAOYSA-N
XLogP3.70
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The IUPAC name of 3-methyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4H-pyrazolo[5,4-c]isoquinolin-5-one (CID 135967466) is 3-methyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4H-pyrazolo[5,4-c]isoquinolin-5-one.
What is the SMILES notation for 3-methyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The canonical SMILES for 3-methyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4H-pyrazolo[5,4-c]isoquinolin-5-one is Cn1nc(CN2CC=C(c3ccccc3)CC2)c2c3ccccc3c(=O)[nH]c21.
What is the InChIKey of 3-methyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The InChIKey is XGHSPKQVYKAFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-26-22-21(18-9-5-6-10-19(18)23(28)24-22)20(25-26)15-27-13-11-17(12-14-27)16-7-3-2-4-8-16/h2-11H,12-15H2,1H3,(H,24,28).
What are the key properties of 3-methyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4H-pyrazolo[5,4-c]isoquinolin-5-one?
3-methyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4H-pyrazolo[5,4-c]isoquinolin-5-one has a molecular weight of 370.46 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4H-pyrazolo[5,4-c]isoquinolin-5-one is sourced from PubChem (CID 135967466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).