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

C23H34N4O3 — CID 67672946

IUPAC1-[(2S)-butan-2-yl]-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-7-hydroxyindazole-3-carboxamide
SMILESCCCCN1C2COCC1CC(NC(=O)c1nn([C@@H](C)CC)c3c(O)cccc13)C2
InChIInChI=1S/C23H34N4O3/c1-4-6-10-26-17-11-16(12-18(26)14-30-13-17)24-23(29)21-19-8-7-9-20(28)22(19)27(25-21)15(3)5-2/h7-9,15-18,28H,4-6,10-14H2,1-3H3,(H,24,29)/t15-,16?,17?,18?/m0/s1
InChIKeyRXPAZJVHZIWLTI-QSBIPNOOSA-N
MW414.55 g/mol
LogP3.47
Rot. Bonds7

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

1-[(2S)-butan-2-yl]-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-7-hydroxyindazole-3-carboxamide (PubChem CID 67672946) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is 1-[(2S)-butan-2-yl]-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-7-hydroxyindazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2S)-butan-2-yl]-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-7-hydroxyindazole-3-carboxamide
PubChem CID67672946
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Name1-[(2S)-butan-2-yl]-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-7-hydroxyindazole-3-carboxamide
SMILESCCCCN1C2COCC1CC(NC(=O)c1nn([C@@H](C)CC)c3c(O)cccc13)C2
InChIInChI=1S/C23H34N4O3/c1-4-6-10-26-17-11-16(12-18(26)14-30-13-17)24-23(29)21-19-8-7-9-20(28)22(19)27(25-21)15(3)5-2/h7-9,15-18,28H,4-6,10-14H2,1-3H3,(H,24,29)/t15-,16?,17?,18?/m0/s1
InChIKeyRXPAZJVHZIWLTI-QSBIPNOOSA-N
XLogP3.47
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(2S)-butan-2-yl]-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-7-hydroxyindazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-butan-2-yl]-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-7-hydroxyindazole-3-carboxamide?
The IUPAC name of 1-[(2S)-butan-2-yl]-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-7-hydroxyindazole-3-carboxamide (CID 67672946) is 1-[(2S)-butan-2-yl]-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-7-hydroxyindazole-3-carboxamide.
What is the SMILES notation for 1-[(2S)-butan-2-yl]-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-7-hydroxyindazole-3-carboxamide?
The canonical SMILES for 1-[(2S)-butan-2-yl]-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-7-hydroxyindazole-3-carboxamide is CCCCN1C2COCC1CC(NC(=O)c1nn([C@@H](C)CC)c3c(O)cccc13)C2.
What is the InChIKey of 1-[(2S)-butan-2-yl]-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-7-hydroxyindazole-3-carboxamide?
The InChIKey is RXPAZJVHZIWLTI-QSBIPNOOSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-4-6-10-26-17-11-16(12-18(26)14-30-13-17)24-23(29)21-19-8-7-9-20(28)22(19)27(25-21)15(3)5-2/h7-9,15-18,28H,4-6,10-14H2,1-3H3,(H,24,29)/t15-,16?,17?,18?/m0/s1.
What are the key properties of 1-[(2S)-butan-2-yl]-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-7-hydroxyindazole-3-carboxamide?
1-[(2S)-butan-2-yl]-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-7-hydroxyindazole-3-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-butan-2-yl]-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-7-hydroxyindazole-3-carboxamide is sourced from PubChem (CID 67672946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).