2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide

C23H24N6O2 — CID 138585588

IUPAC2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide
SMILESCN1CCC(c2nc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)co2)CC1
InChIInChI=1S/C23H24N6O2/c1-28-7-5-15(6-8-28)23-26-20(14-31-23)22(30)27-21-10-18-9-16(3-4-17(18)11-24-21)19-12-25-29(2)13-19/h3-4,9-15H,5-8H2,1-2H3,(H,24,27,30)
InChIKeyAYGOYMVCKXWGGA-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.68
Rot. Bonds4

About 2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide

2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide (PubChem CID 138585588) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide
PubChem CID138585588
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide
SMILESCN1CCC(c2nc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)co2)CC1
InChIInChI=1S/C23H24N6O2/c1-28-7-5-15(6-8-28)23-26-20(14-31-23)22(30)27-21-10-18-9-16(3-4-17(18)11-24-21)19-12-25-29(2)13-19/h3-4,9-15H,5-8H2,1-2H3,(H,24,27,30)
InChIKeyAYGOYMVCKXWGGA-UHFFFAOYSA-N
XLogP3.68
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide (CID 138585588) is 2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide is CN1CCC(c2nc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)co2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is AYGOYMVCKXWGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-28-7-5-15(6-8-28)23-26-20(14-31-23)22(30)27-21-10-18-9-16(3-4-17(18)11-24-21)19-12-25-29(2)13-19/h3-4,9-15H,5-8H2,1-2H3,(H,24,27,30).
What are the key properties of 2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide?
2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 138585588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).