1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-4-phenylmethoxyindazole-3-carboxamide

C25H30N4O2 — CID 46233590

IUPAC1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-4-phenylmethoxyindazole-3-carboxamide
SMILESCN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3cccc(OCc4ccccc4)c13)C2
InChIInChI=1S/C25H30N4O2/c1-28-19-10-6-11-20(28)15-18(14-19)26-25(30)24-23-21(29(2)27-24)12-7-13-22(23)31-16-17-8-4-3-5-9-17/h3-5,7-9,12-13,18-20H,6,10-11,14-16H2,1-2H3,(H,26,30)/t19-,20-/m0/s1
InChIKeyKWVHDIHZHBHZBJ-PMACEKPBSA-N
MW418.54 g/mol
LogP3.90
Rot. Bonds5

About 1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-4-phenylmethoxyindazole-3-carboxamide

1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-4-phenylmethoxyindazole-3-carboxamide (PubChem CID 46233590) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-4-phenylmethoxyindazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-4-phenylmethoxyindazole-3-carboxamide
PubChem CID46233590
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-4-phenylmethoxyindazole-3-carboxamide
SMILESCN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3cccc(OCc4ccccc4)c13)C2
InChIInChI=1S/C25H30N4O2/c1-28-19-10-6-11-20(28)15-18(14-19)26-25(30)24-23-21(29(2)27-24)12-7-13-22(23)31-16-17-8-4-3-5-9-17/h3-5,7-9,12-13,18-20H,6,10-11,14-16H2,1-2H3,(H,26,30)/t19-,20-/m0/s1
InChIKeyKWVHDIHZHBHZBJ-PMACEKPBSA-N
XLogP3.90
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-7-phenylmethoxyindazole-3-carboxamide
CID 46233637
1-[3-[6-[3-[2,2-difluoro-12-(4-methoxyphenyl)-4,6-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-5-yl]propanoylamino]hexanoylamino]propyl]-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 76335132
4-hydroxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 135976297
1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indazole-3-carboxamide
CID 162660232
N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 9867783
7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indazole-3-carboxylic acid 2-methoxy-benzylamide
CID 10159384
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CID 16017038
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[(3-methyl-2H-indazol-4-yl)oxy]propan-1-one
CID 45487308
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1,3-dimethylindazol-4-yl)oxypropan-1-one
CID 45487316
N-(2-acetamidoethyl)-N-benzyl-8-cyclopropyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 122657467
N-(2-acetamidoethyl)-N-benzyl-8-ethenyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 122657470
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CID 122657485

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-4-phenylmethoxyindazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-4-phenylmethoxyindazole-3-carboxamide (CID 46233590) is 1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-4-phenylmethoxyindazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-4-phenylmethoxyindazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-4-phenylmethoxyindazole-3-carboxamide is CN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3cccc(OCc4ccccc4)c13)C2.
What is the InChIKey of 1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-4-phenylmethoxyindazole-3-carboxamide?
The InChIKey is KWVHDIHZHBHZBJ-PMACEKPBSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-28-19-10-6-11-20(28)15-18(14-19)26-25(30)24-23-21(29(2)27-24)12-7-13-22(23)31-16-17-8-4-3-5-9-17/h3-5,7-9,12-13,18-20H,6,10-11,14-16H2,1-2H3,(H,26,30)/t19-,20-/m0/s1.
What are the key properties of 1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-4-phenylmethoxyindazole-3-carboxamide?
1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-4-phenylmethoxyindazole-3-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-4-phenylmethoxyindazole-3-carboxamide is sourced from PubChem (CID 46233590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).