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

C25H30N4O4 — CID 177372736

IUPAC2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1-propan-2-yl-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide
SMILESCC(C)Oc1cc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn(C(C)C)c1=O
InChIInChI=1S/C25H30N4O4/c1-15(2)28-8-6-7-19(23(28)31)26-22(30)18-9-17-11-29(25-12-24(5,13-25)32-14-25)27-20(17)10-21(18)33-16(3)4/h6-11,15-16H,12-14H2,1-5H3,(H,26,30)
InChIKeyJVRXBZPFUPOGSJ-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.10
Rot. Bonds6

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

2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1-propan-2-yl-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide (PubChem CID 177372736) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is 2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1-propan-2-yl-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide.

Molecular Properties

Compound Name2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1-propan-2-yl-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide
PubChem CID177372736
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC Name2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1-propan-2-yl-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide
SMILESCC(C)Oc1cc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn(C(C)C)c1=O
InChIInChI=1S/C25H30N4O4/c1-15(2)28-8-6-7-19(23(28)31)26-22(30)18-9-17-11-29(25-12-24(5,13-25)32-14-25)27-20(17)10-21(18)33-16(3)4/h6-11,15-16H,12-14H2,1-5H3,(H,26,30)
InChIKeyJVRXBZPFUPOGSJ-UHFFFAOYSA-N
XLogP4.10
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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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-(2-oxo-1-propan-2-yl-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide?
The IUPAC name of 2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1-propan-2-yl-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide (CID 177372736) is 2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1-propan-2-yl-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-(2-oxo-1-propan-2-yl-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide?
The canonical SMILES for 2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1-propan-2-yl-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide is CC(C)Oc1cc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn(C(C)C)c1=O.
What is the InChIKey of 2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1-propan-2-yl-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide?
The InChIKey is JVRXBZPFUPOGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-15(2)28-8-6-7-19(23(28)31)26-22(30)18-9-17-11-29(25-12-24(5,13-25)32-14-25)27-20(17)10-21(18)33-16(3)4/h6-11,15-16H,12-14H2,1-5H3,(H,26,30).
What are the key properties of 2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1-propan-2-yl-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide?
2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1-propan-2-yl-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 4.10, 6 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-(2-oxo-1-propan-2-yl-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide is sourced from PubChem (CID 177372736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).