1-[(2R)-3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole

C23H33N3O2 — CID 118881766

IUPAC1-[(2R)-3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole
SMILESCOc1ccc2cnn(C[C@H](C)CN3[C@@H]4CC[C@H]3CC(OCC3CC3)C4)c2c1
InChIInChI=1S/C23H33N3O2/c1-16(14-26-23-11-21(27-2)8-5-18(23)12-24-26)13-25-19-6-7-20(25)10-22(9-19)28-15-17-3-4-17/h5,8,11-12,16-17,19-20,22H,3-4,6-7,9-10,13-15H2,1-2H3/t16-,19-,20+,22?/m1/s1
InChIKeyOHIAMUPUAFQXRN-NDJPSFBPSA-N
MW383.54 g/mol
LogP4.10
Rot. Bonds8

About 1-[(2R)-3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole

1-[(2R)-3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole (PubChem CID 118881766) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-[(2R)-3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole.

Molecular Properties

Compound Name1-[(2R)-3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole
PubChem CID118881766
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name1-[(2R)-3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole
SMILESCOc1ccc2cnn(C[C@H](C)CN3[C@@H]4CC[C@H]3CC(OCC3CC3)C4)c2c1
InChIInChI=1S/C23H33N3O2/c1-16(14-26-23-11-21(27-2)8-5-18(23)12-24-26)13-25-19-6-7-20(25)10-22(9-19)28-15-17-3-4-17/h5,8,11-12,16-17,19-20,22H,3-4,6-7,9-10,13-15H2,1-2H3/t16-,19-,20+,22?/m1/s1
InChIKeyOHIAMUPUAFQXRN-NDJPSFBPSA-N
XLogP4.10
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole with MolForge

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Related Compounds

(S)-2-(6-methoxyindazol-1-yl)-1-methylethylamine
CID 11708275
Allyl-[6-(1,3-dimethyl-1H-indazol-6-yloxy)-hexyl]-methyl-amine
CID 44306372
6-Methoxy-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole
CID 76336462
1-[3-[4-(2-Methylpyrazol-3-yl)phenoxy]propyl]piperidine
CID 56661468
2H-Indazole, 2-(3-methoxyphenyl)-
CID 3067342
7-Methoxy-4-(4-methoxy-phenyl)-1,2-dihydro-3,9,9a-triaza-fluorene
CID 25102387
1-(cyclopropylmethyl)-7-(methoxymethyl)-6-[(4-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 118739710
1-Methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium hydroxide
CID 71763891
1-Methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium
CID 71763892
6-methoxy-1-[(2R)-2-methyl-3-[(1R,5S)-3-prop-2-ynoxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]indazole
CID 117610787
6-methoxy-1-[(2R)-3-[(1R,5S)-3-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole
CID 118871647
1H-Indazole, 3-(3-(dimethylamino)propoxy)-1-(p-methoxybenzyl)-, monohydrochloride
CID 200255

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole?
The IUPAC name of 1-[(2R)-3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole (CID 118881766) is 1-[(2R)-3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole.
What is the SMILES notation for 1-[(2R)-3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole?
The canonical SMILES for 1-[(2R)-3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole is COc1ccc2cnn(C[C@H](C)CN3[C@@H]4CC[C@H]3CC(OCC3CC3)C4)c2c1.
What is the InChIKey of 1-[(2R)-3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole?
The InChIKey is OHIAMUPUAFQXRN-NDJPSFBPSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-16(14-26-23-11-21(27-2)8-5-18(23)12-24-26)13-25-19-6-7-20(25)10-22(9-19)28-15-17-3-4-17/h5,8,11-12,16-17,19-20,22H,3-4,6-7,9-10,13-15H2,1-2H3/t16-,19-,20+,22?/m1/s1.
What are the key properties of 1-[(2R)-3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole?
1-[(2R)-3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole has a molecular weight of 383.54 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole is sourced from PubChem (CID 118881766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).