N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-1-methylpyrazole-3-carboxamide

C22H20N4O2 — CID 118928892

IUPACN-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-1-methylpyrazole-3-carboxamide
SMILESCOc1cccc(-c2ccc(CNC(=O)c3ccn(C)n3)c3cnccc23)c1
InChIInChI=1S/C22H20N4O2/c1-26-11-9-21(25-26)22(27)24-13-16-6-7-18(19-8-10-23-14-20(16)19)15-4-3-5-17(12-15)28-2/h3-12,14H,13H2,1-2H3,(H,24,27)
InChIKeyGLNGQVNENCSJGG-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.57
Rot. Bonds5

About N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-1-methylpyrazole-3-carboxamide

N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-1-methylpyrazole-3-carboxamide (PubChem CID 118928892) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-1-methylpyrazole-3-carboxamide
PubChem CID118928892
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-1-methylpyrazole-3-carboxamide
SMILESCOc1cccc(-c2ccc(CNC(=O)c3ccn(C)n3)c3cnccc23)c1
InChIInChI=1S/C22H20N4O2/c1-26-11-9-21(25-26)22(27)24-13-16-6-7-18(19-8-10-23-14-20(16)19)15-4-3-5-17(12-15)28-2/h3-12,14H,13H2,1-2H3,(H,24,27)
InChIKeyGLNGQVNENCSJGG-UHFFFAOYSA-N
XLogP3.57
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-1-methylpyrazole-3-carboxamide (CID 118928892) is N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-1-methylpyrazole-3-carboxamide is COc1cccc(-c2ccc(CNC(=O)c3ccn(C)n3)c3cnccc23)c1.
What is the InChIKey of N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is GLNGQVNENCSJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-26-11-9-21(25-26)22(27)24-13-16-6-7-18(19-8-10-23-14-20(16)19)15-4-3-5-17(12-15)28-2/h3-12,14H,13H2,1-2H3,(H,24,27).
What are the key properties of N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-1-methylpyrazole-3-carboxamide?
N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 118928892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).