1-butan-2-yl-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide

C23H34N4O2 — CID 21478732

IUPAC1-butan-2-yl-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide
SMILESCCCCN1C2COCC1CC(NC(=O)c1nn(C(C)CC)c3ccccc13)C2
InChIInChI=1S/C23H34N4O2/c1-4-6-11-26-18-12-17(13-19(26)15-29-14-18)24-23(28)22-20-9-7-8-10-21(20)27(25-22)16(3)5-2/h7-10,16-19H,4-6,11-15H2,1-3H3,(H,24,28)
InChIKeyUXSLMQZYBHYTDX-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.77
Rot. Bonds7

About 1-butan-2-yl-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide

1-butan-2-yl-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide (PubChem CID 21478732) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 1-butan-2-yl-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide.

Molecular Properties

Compound Name1-butan-2-yl-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide
PubChem CID21478732
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name1-butan-2-yl-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide
SMILESCCCCN1C2COCC1CC(NC(=O)c1nn(C(C)CC)c3ccccc13)C2
InChIInChI=1S/C23H34N4O2/c1-4-6-11-26-18-12-17(13-19(26)15-29-14-18)24-23(28)22-20-9-7-8-10-21(20)27(25-22)16(3)5-2/h7-10,16-19H,4-6,11-15H2,1-3H3,(H,24,28)
InChIKeyUXSLMQZYBHYTDX-UHFFFAOYSA-N
XLogP3.77
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide?
The IUPAC name of 1-butan-2-yl-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide (CID 21478732) is 1-butan-2-yl-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide.
What is the SMILES notation for 1-butan-2-yl-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide?
The canonical SMILES for 1-butan-2-yl-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide is CCCCN1C2COCC1CC(NC(=O)c1nn(C(C)CC)c3ccccc13)C2.
What is the InChIKey of 1-butan-2-yl-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide?
The InChIKey is UXSLMQZYBHYTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-4-6-11-26-18-12-17(13-19(26)15-29-14-18)24-23(28)22-20-9-7-8-10-21(20)27(25-22)16(3)5-2/h7-10,16-19H,4-6,11-15H2,1-3H3,(H,24,28).
What are the key properties of 1-butan-2-yl-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide?
1-butan-2-yl-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide is sourced from PubChem (CID 21478732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).