N-[6-(4-hydroxypiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-1,3-oxazole-4-carboxamide

C23H24N6O4 — CID 118226580

IUPACN-[6-(4-hydroxypiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cc(-c2nc(C(=O)Nc3cc4cnn(C)c4cc3N3CCC(O)CC3)co2)ccn1
InChIInChI=1S/C23H24N6O4/c1-28-19-11-20(29-7-4-16(30)5-8-29)17(9-15(19)12-25-28)26-22(31)18-13-33-23(27-18)14-3-6-24-21(10-14)32-2/h3,6,9-13,16,30H,4-5,7-8H2,1-2H3,(H,26,31)
InChIKeyHDBGTKNKQWJCCV-UHFFFAOYSA-N
MW448.48 g/mol
LogP2.85
Rot. Bonds5

About N-[6-(4-hydroxypiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-1,3-oxazole-4-carboxamide

N-[6-(4-hydroxypiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-1,3-oxazole-4-carboxamide (PubChem CID 118226580) has the molecular formula C23H24N6O4 and a molecular weight of 448.48 g/mol. Its IUPAC name is N-[6-(4-hydroxypiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(4-hydroxypiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-1,3-oxazole-4-carboxamide
PubChem CID118226580
Molecular FormulaC23H24N6O4
Molecular Weight448.48 g/mol
Exact Mass448.19
IUPAC NameN-[6-(4-hydroxypiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cc(-c2nc(C(=O)Nc3cc4cnn(C)c4cc3N3CCC(O)CC3)co2)ccn1
InChIInChI=1S/C23H24N6O4/c1-28-19-11-20(29-7-4-16(30)5-8-29)17(9-15(19)12-25-28)26-22(31)18-13-33-23(27-18)14-3-6-24-21(10-14)32-2/h3,6,9-13,16,30H,4-5,7-8H2,1-2H3,(H,26,31)
InChIKeyHDBGTKNKQWJCCV-UHFFFAOYSA-N
XLogP2.85
TPSA118.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-hydroxypiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-(4-hydroxypiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-1,3-oxazole-4-carboxamide (CID 118226580) is N-[6-(4-hydroxypiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-(4-hydroxypiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-(4-hydroxypiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-1,3-oxazole-4-carboxamide is COc1cc(-c2nc(C(=O)Nc3cc4cnn(C)c4cc3N3CCC(O)CC3)co2)ccn1.
What is the InChIKey of N-[6-(4-hydroxypiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The InChIKey is HDBGTKNKQWJCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4/c1-28-19-11-20(29-7-4-16(30)5-8-29)17(9-15(19)12-25-28)26-22(31)18-13-33-23(27-18)14-3-6-24-21(10-14)32-2/h3,6,9-13,16,30H,4-5,7-8H2,1-2H3,(H,26,31).
What are the key properties of N-[6-(4-hydroxypiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-1,3-oxazole-4-carboxamide?
N-[6-(4-hydroxypiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-1,3-oxazole-4-carboxamide has a molecular weight of 448.48 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-hydroxypiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118226580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).