2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide

C23H24N6O2 — CID 146617128

IUPAC2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide
SMILESCN1CCC(c2ncc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)o2)CC1
InChIInChI=1S/C23H24N6O2/c1-28-7-5-15(6-8-28)23-25-13-20(31-23)22(30)27-21-10-18-9-16(3-4-17(18)11-24-21)19-12-26-29(2)14-19/h3-4,9-15H,5-8H2,1-2H3,(H,24,27,30)
InChIKeyDPXRBKWJZBGWRU-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-5-carboxamide

2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide (PubChem CID 146617128) 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-5-carboxamide.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide
PubChem CID146617128
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-5-carboxamide
SMILESCN1CCC(c2ncc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)o2)CC1
InChIInChI=1S/C23H24N6O2/c1-28-7-5-15(6-8-28)23-25-13-20(31-23)22(30)27-21-10-18-9-16(3-4-17(18)11-24-21)19-12-26-29(2)14-19/h3-4,9-15H,5-8H2,1-2H3,(H,24,27,30)
InChIKeyDPXRBKWJZBGWRU-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

Analyze 2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

4-methyl-1-(1-methylpiperidin-4-yl)sulfonyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrole-3-carboxamide
CID 170563373
N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-1-carboxamide
CID 168793398
2-(4-cyclopropylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide
CID 155241408
N-[1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
CID 142575205
1-(1-ethylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrazole-4-carboxamide
CID 138585703
6-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrrolidin-2-yl)ethenyl]isoquinolin-3-amine
CID 166954628
N-[1-(1-cyclopropylpiperidin-4-yl)ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
CID 166954586
2-[4-[1-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]amino]ethenyl]piperidin-1-yl]ethanol
CID 166702386
4-(2,2-dimethylpropyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]piperazine-1-carboxamide
CID 135251253
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide;oxalate;platinum(4+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 172880373
N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-2-carbothioamide
CID 166954294
N-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-methylpiperazine-1-carboxamide
CID 172851605

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-5-carboxamide?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide (CID 146617128) is 2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide is CN1CCC(c2ncc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)o2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is DPXRBKWJZBGWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-28-7-5-15(6-8-28)23-25-13-20(31-23)22(30)27-21-10-18-9-16(3-4-17(18)11-24-21)19-12-26-29(2)14-19/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-5-carboxamide?
2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-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-5-carboxamide is sourced from PubChem (CID 146617128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).