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

C26H32N4O4 — CID 177372737

IUPACN-(1-tert-butyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide
SMILESCC(C)Oc1cc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn(C(C)(C)C)c1=O
InChIInChI=1S/C26H32N4O4/c1-16(2)34-21-11-20-17(12-30(28-20)26-13-25(6,14-26)33-15-26)10-18(21)22(31)27-19-8-7-9-29(23(19)32)24(3,4)5/h7-12,16H,13-15H2,1-6H3,(H,27,31)
InChIKeyXNKKYAYBMKEEEF-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.27
Rot. Bonds5

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

N-(1-tert-butyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide (PubChem CID 177372737) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-(1-tert-butyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide
PubChem CID177372737
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC NameN-(1-tert-butyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide
SMILESCC(C)Oc1cc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn(C(C)(C)C)c1=O
InChIInChI=1S/C26H32N4O4/c1-16(2)34-21-11-20-17(12-30(28-20)26-13-25(6,14-26)33-15-26)10-18(21)22(31)27-19-8-7-9-29(23(19)32)24(3,4)5/h7-12,16H,13-15H2,1-6H3,(H,27,31)
InChIKeyXNKKYAYBMKEEEF-UHFFFAOYSA-N
XLogP4.27
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide?
The IUPAC name of N-(1-tert-butyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide (CID 177372737) is N-(1-tert-butyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide.
What is the SMILES notation for N-(1-tert-butyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide?
The canonical SMILES for N-(1-tert-butyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide is CC(C)Oc1cc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn(C(C)(C)C)c1=O.
What is the InChIKey of N-(1-tert-butyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide?
The InChIKey is XNKKYAYBMKEEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-16(2)34-21-11-20-17(12-30(28-20)26-13-25(6,14-26)33-15-26)10-18(21)22(31)27-19-8-7-9-29(23(19)32)24(3,4)5/h7-12,16H,13-15H2,1-6H3,(H,27,31).
What are the key properties of N-(1-tert-butyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide?
N-(1-tert-butyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide is sourced from PubChem (CID 177372737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).