N-butan-2-yl-N-[(5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide

C23H34N4O2 — CID 67673217

IUPACN-butan-2-yl-N-[(5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide
SMILESCCCCN1C2COC[C@H]1CC(N(C(=O)c1n[nH]c3ccccc13)C(C)CC)C2
InChIInChI=1S/C23H34N4O2/c1-4-6-11-26-18-12-17(13-19(26)15-29-14-18)27(16(3)5-2)23(28)22-20-9-7-8-10-21(20)24-25-22/h7-10,16-19H,4-6,11-15H2,1-3H3,(H,24,25)/t16?,17?,18-,19?/m1/s1
InChIKeyQFPPITKQNLZQJN-YKPIGIGISA-N
MW398.55 g/mol
LogP3.84
Rot. Bonds7

About N-butan-2-yl-N-[(5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide

N-butan-2-yl-N-[(5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide (PubChem CID 67673217) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-butan-2-yl-N-[(5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[(5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide
PubChem CID67673217
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC NameN-butan-2-yl-N-[(5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide
SMILESCCCCN1C2COC[C@H]1CC(N(C(=O)c1n[nH]c3ccccc13)C(C)CC)C2
InChIInChI=1S/C23H34N4O2/c1-4-6-11-26-18-12-17(13-19(26)15-29-14-18)27(16(3)5-2)23(28)22-20-9-7-8-10-21(20)24-25-22/h7-10,16-19H,4-6,11-15H2,1-3H3,(H,24,25)/t16?,17?,18-,19?/m1/s1
InChIKeyQFPPITKQNLZQJN-YKPIGIGISA-N
XLogP3.84
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-N-[(5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide with MolForge

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Related Compounds

N-[(1S,5R)-9-(2-methylpropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide
CID 67767241
N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide
CID 11630786
1-[(2S)-butan-2-yl]-N-[(1S,5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide
CID 67673528
N-[(1S,5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-(2-methylpropyl)indazole-3-carboxamide
CID 67671600
N-(furan-2-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide
CID 68618356
N-methyl-N-(2-methylbutyl)-1H-indazole-3-carboxamide
CID 63932230
N-ethyl-N-piperidin-4-yl-1H-indazole-3-carboxamide
CID 60805904
N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide
CID 67846028
3-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 55008009
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
[2-[[(2S)-butan-2-yl]-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 7956527
N-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 170623135

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[(5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-butan-2-yl-N-[(5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide (CID 67673217) is N-butan-2-yl-N-[(5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-[(5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-N-[(5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide is CCCCN1C2COC[C@H]1CC(N(C(=O)c1n[nH]c3ccccc13)C(C)CC)C2.
What is the InChIKey of N-butan-2-yl-N-[(5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide?
The InChIKey is QFPPITKQNLZQJN-YKPIGIGISA-N. The full InChI is InChI=1S/C23H34N4O2/c1-4-6-11-26-18-12-17(13-19(26)15-29-14-18)27(16(3)5-2)23(28)22-20-9-7-8-10-21(20)24-25-22/h7-10,16-19H,4-6,11-15H2,1-3H3,(H,24,25)/t16?,17?,18-,19?/m1/s1.
What are the key properties of N-butan-2-yl-N-[(5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide?
N-butan-2-yl-N-[(5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[(5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 67673217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).