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

C26H28N4O4 — CID 164554527

IUPAC6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide
SMILESCC12CC(n3cc4cc(C(=O)Nc5cccn(C6CC6)c5=O)c(OC5CCC5)cc4n3)(CO1)C2
InChIInChI=1S/C26H28N4O4/c1-25-13-26(14-25,15-33-25)30-12-16-10-19(22(11-21(16)28-30)34-18-4-2-5-18)23(31)27-20-6-3-9-29(24(20)32)17-7-8-17/h3,6,9-12,17-18H,2,4-5,7-8,13-15H2,1H3,(H,27,31)
InChIKeyFYCUBWKYLFDBHF-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.99
Rot. Bonds6

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

6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide (PubChem CID 164554527) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide.

Molecular Properties

Compound Name6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide
PubChem CID164554527
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide
SMILESCC12CC(n3cc4cc(C(=O)Nc5cccn(C6CC6)c5=O)c(OC5CCC5)cc4n3)(CO1)C2
InChIInChI=1S/C26H28N4O4/c1-25-13-26(14-25,15-33-25)30-12-16-10-19(22(11-21(16)28-30)34-18-4-2-5-18)23(31)27-20-6-3-9-29(24(20)32)17-7-8-17/h3,6,9-12,17-18H,2,4-5,7-8,13-15H2,1H3,(H,27,31)
InChIKeyFYCUBWKYLFDBHF-UHFFFAOYSA-N
XLogP3.99
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide?
The IUPAC name of 6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide (CID 164554527) is 6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide.
What is the SMILES notation for 6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide?
The canonical SMILES for 6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide is CC12CC(n3cc4cc(C(=O)Nc5cccn(C6CC6)c5=O)c(OC5CCC5)cc4n3)(CO1)C2.
What is the InChIKey of 6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide?
The InChIKey is FYCUBWKYLFDBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-25-13-26(14-25,15-33-25)30-12-16-10-19(22(11-21(16)28-30)34-18-4-2-5-18)23(31)27-20-6-3-9-29(24(20)32)17-7-8-17/h3,6,9-12,17-18H,2,4-5,7-8,13-15H2,1H3,(H,27,31).
What are the key properties of 6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide?
6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide is sourced from PubChem (CID 164554527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).