2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methyl-2-oxo-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide

C23H26N4O4 — CID 155438892

IUPAC2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methyl-2-oxo-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide
SMILESCC(C)Oc1cc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn(C)c1=O
InChIInChI=1S/C23H26N4O4/c1-14(2)31-19-9-18-15(10-27(25-18)23-11-22(3,12-23)30-13-23)8-16(19)20(28)24-17-6-5-7-26(4)21(17)29/h5-10,14H,11-13H2,1-4H3,(H,24,28)
InChIKeyFLLDBLHGRXDXBL-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.05
Rot. Bonds5

About 2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methyl-2-oxo-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide

2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methyl-2-oxo-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide (PubChem CID 155438892) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methyl-2-oxo-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide.

Molecular Properties

Compound Name2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methyl-2-oxo-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide
PubChem CID155438892
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methyl-2-oxo-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide
SMILESCC(C)Oc1cc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn(C)c1=O
InChIInChI=1S/C23H26N4O4/c1-14(2)31-19-9-18-15(10-27(25-18)23-11-22(3,12-23)30-13-23)8-16(19)20(28)24-17-6-5-7-26(4)21(17)29/h5-10,14H,11-13H2,1-4H3,(H,24,28)
InChIKeyFLLDBLHGRXDXBL-UHFFFAOYSA-N
XLogP3.05
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methyl-2-oxo-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide?
The IUPAC name of 2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methyl-2-oxo-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide (CID 155438892) is 2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methyl-2-oxo-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide.
What is the SMILES notation for 2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methyl-2-oxo-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide?
The canonical SMILES for 2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methyl-2-oxo-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide is CC(C)Oc1cc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn(C)c1=O.
What is the InChIKey of 2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methyl-2-oxo-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide?
The InChIKey is FLLDBLHGRXDXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-14(2)31-19-9-18-15(10-27(25-18)23-11-22(3,12-23)30-13-23)8-16(19)20(28)24-17-6-5-7-26(4)21(17)29/h5-10,14H,11-13H2,1-4H3,(H,24,28).
What are the key properties of 2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methyl-2-oxo-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide?
2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methyl-2-oxo-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methyl-2-oxo-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide is sourced from PubChem (CID 155438892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).