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

C19H26N4O2 — CID 46233560

IUPAC4-methoxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
SMILESCOc1cccc2c1c(C(=O)NC1C[C@@H]3CCC[C@@H](C1)N3C)nn2C
InChIInChI=1S/C19H26N4O2/c1-22-13-6-4-7-14(22)11-12(10-13)20-19(24)18-17-15(23(2)21-18)8-5-9-16(17)25-3/h5,8-9,12-14H,4,6-7,10-11H2,1-3H3,(H,20,24)/t13-,14-/m0/s1
InChIKeyOIVVFYLMLVRCHQ-KBPBESRZSA-N
MW342.44 g/mol
LogP2.33
Rot. Bonds3

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

4-methoxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide (PubChem CID 46233560) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-methoxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
PubChem CID46233560
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name4-methoxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
SMILESCOc1cccc2c1c(C(=O)NC1C[C@@H]3CCC[C@@H](C1)N3C)nn2C
InChIInChI=1S/C19H26N4O2/c1-22-13-6-4-7-14(22)11-12(10-13)20-19(24)18-17-15(23(2)21-18)8-5-9-16(17)25-3/h5,8-9,12-14H,4,6-7,10-11H2,1-3H3,(H,20,24)/t13-,14-/m0/s1
InChIKeyOIVVFYLMLVRCHQ-KBPBESRZSA-N
XLogP2.33
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.33
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
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 10592156
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CID 10593194
1-Cyclohexyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10689417
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1,3-dimethylindazol-4-yl)oxypropan-1-one
CID 45487316
N-[1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
CID 50898239
N-(2-acetamidoethyl)-N-benzyl-8-ethenyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide?
The IUPAC name of 4-methoxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide (CID 46233560) is 4-methoxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide.
What is the SMILES notation for 4-methoxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide?
The canonical SMILES for 4-methoxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide is COc1cccc2c1c(C(=O)NC1C[C@@H]3CCC[C@@H](C1)N3C)nn2C.
What is the InChIKey of 4-methoxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide?
The InChIKey is OIVVFYLMLVRCHQ-KBPBESRZSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22-13-6-4-7-14(22)11-12(10-13)20-19(24)18-17-15(23(2)21-18)8-5-9-16(17)25-3/h5,8-9,12-14H,4,6-7,10-11H2,1-3H3,(H,20,24)/t13-,14-/m0/s1.
What are the key properties of 4-methoxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide?
4-methoxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide is sourced from PubChem (CID 46233560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).