2-(2-methoxy-4-pyridinyl)-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-1,3-oxazole-4-carboxamide

C23H24N6O3 — CID 118226401

IUPAC2-(2-methoxy-4-pyridinyl)-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-1,3-oxazole-4-carboxamide
SMILESCOc1cc(-c2nc(C(=O)Nc3cc4cn(C)nc4cc3N3CCCCC3)co2)ccn1
InChIInChI=1S/C23H24N6O3/c1-28-13-16-10-18(20(12-17(16)27-28)29-8-4-3-5-9-29)25-22(30)19-14-32-23(26-19)15-6-7-24-21(11-15)31-2/h6-7,10-14H,3-5,8-9H2,1-2H3,(H,25,30)
InChIKeyVSKQXRXNBOLJTA-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.87
Rot. Bonds5

About 2-(2-methoxy-4-pyridinyl)-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-1,3-oxazole-4-carboxamide

2-(2-methoxy-4-pyridinyl)-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-1,3-oxazole-4-carboxamide (PubChem CID 118226401) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-(2-methoxy-4-pyridinyl)-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxy-4-pyridinyl)-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-1,3-oxazole-4-carboxamide
PubChem CID118226401
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name2-(2-methoxy-4-pyridinyl)-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-1,3-oxazole-4-carboxamide
SMILESCOc1cc(-c2nc(C(=O)Nc3cc4cn(C)nc4cc3N3CCCCC3)co2)ccn1
InChIInChI=1S/C23H24N6O3/c1-28-13-16-10-18(20(12-17(16)27-28)29-8-4-3-5-9-29)25-22(30)19-14-32-23(26-19)15-6-7-24-21(11-15)31-2/h6-7,10-14H,3-5,8-9H2,1-2H3,(H,25,30)
InChIKeyVSKQXRXNBOLJTA-UHFFFAOYSA-N
XLogP3.87
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-pyridinyl)-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-methoxy-4-pyridinyl)-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-1,3-oxazole-4-carboxamide (CID 118226401) is 2-(2-methoxy-4-pyridinyl)-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-methoxy-4-pyridinyl)-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-methoxy-4-pyridinyl)-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-1,3-oxazole-4-carboxamide is COc1cc(-c2nc(C(=O)Nc3cc4cn(C)nc4cc3N3CCCCC3)co2)ccn1.
What is the InChIKey of 2-(2-methoxy-4-pyridinyl)-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is VSKQXRXNBOLJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-28-13-16-10-18(20(12-17(16)27-28)29-8-4-3-5-9-29)25-22(30)19-14-32-23(26-19)15-6-7-24-21(11-15)31-2/h6-7,10-14H,3-5,8-9H2,1-2H3,(H,25,30).
What are the key properties of 2-(2-methoxy-4-pyridinyl)-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-1,3-oxazole-4-carboxamide?
2-(2-methoxy-4-pyridinyl)-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-pyridinyl)-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118226401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).