N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide

C22H20N4O2 — CID 160845626

IUPACN-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc3cc(-c4cnn(C)c4CO)ccc3cn2)cc1
InChIInChI=1S/C22H20N4O2/c1-14-3-5-15(6-4-14)22(28)25-21-10-18-9-16(7-8-17(18)11-23-21)19-12-24-26(2)20(19)13-27/h3-12,27H,13H2,1-2H3,(H,23,25,28)
InChIKeyZVKBNEMOGFNYNB-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.69
Rot. Bonds4

About N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide

N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide (PubChem CID 160845626) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide
PubChem CID160845626
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc3cc(-c4cnn(C)c4CO)ccc3cn2)cc1
InChIInChI=1S/C22H20N4O2/c1-14-3-5-15(6-4-14)22(28)25-21-10-18-9-16(7-8-17(18)11-23-21)19-12-24-26(2)20(19)13-27/h3-12,27H,13H2,1-2H3,(H,23,25,28)
InChIKeyZVKBNEMOGFNYNB-UHFFFAOYSA-N
XLogP3.69
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]benzamide
CID 157330399
N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-cyclohexyloxybenzamide
CID 158199774
4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]benzamide
CID 155295664
4-(difluoromethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide
CID 138587059
4-fluoro-N-[6-[1-methyl-5-(pyrrolidin-1-ylmethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide
CID 138588716
N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-4-(2-methylpropyl)cyclohexane-1-carboxamide
CID 135302487
1,4-diethyl-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]piperidine-4-carboxamide
CID 166702221
N-[7-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138589079
4-fluoro-N-[6-[6-[(1-methylpiperidin-4-yl)amino]pyrazin-2-yl]isoquinolin-3-yl]benzamide
CID 138586265
N-[6-[1,5-dimethyl-2-(morpholin-4-ylmethyl)pyrrol-3-yl]isoquinolin-3-yl]-2-methyl-1,3-dihydroisoindole-5-carboxamide
CID 145392306
[4-(4-chlorophenyl)-1-methylpyrazol-5-yl]methanol
CID 89482659
3-[4-(dimethylamino)piperidin-1-yl]sulfonyl-4-fluoro-N-[6-(5-methoxy-1-methylpyrazol-4-yl)isoquinolin-3-yl]benzamide
CID 170563329

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide?
The IUPAC name of N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide (CID 160845626) is N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide.
What is the SMILES notation for N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide?
The canonical SMILES for N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc3cc(-c4cnn(C)c4CO)ccc3cn2)cc1.
What is the InChIKey of N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide?
The InChIKey is ZVKBNEMOGFNYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-14-3-5-15(6-4-14)22(28)25-21-10-18-9-16(7-8-17(18)11-23-21)19-12-24-26(2)20(19)13-27/h3-12,27H,13H2,1-2H3,(H,23,25,28).
What are the key properties of N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide?
N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide has a molecular weight of 372.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide is sourced from PubChem (CID 160845626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).