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

C23H33N3O2 — CID 118871715

IUPAC1-[3-[(5R)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole
SMILESCOc1ccc2cnn(CC(C)CN3C4CC[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-BTVZNNDGSA-N
MW383.54 g/mol
LogP4.10
Rot. Bonds8

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

1-[3-[(5R)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole (PubChem CID 118871715) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-[3-[(5R)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole.

Molecular Properties

Compound Name1-[3-[(5R)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole
PubChem CID118871715
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name1-[3-[(5R)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole
SMILESCOc1ccc2cnn(CC(C)CN3C4CC[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-BTVZNNDGSA-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-[3-[(5R)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole with MolForge

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Related Compounds

6-methoxy-1-[(2R)-3-[3-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole
CID 118871669
6-methoxy-1-[(2R)-3-[(1S,5S)-3-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole
CID 86267686
1-[(2R)-3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-5-methylindazole
CID 118871711
1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]butyl]-6-methylindazole
CID 118871639
1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-9-azabicyclo[3.3.1]nonan-9-yl]-2-methylpropyl]indazole
CID 129191685
1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone
CID 58967831
1-(cyclopropylmethyl)indazol-6-amine
CID 43646564
1-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-6-methoxyindazole;formamide
CID 68538605
1-(8-methoxybenzo[g]indazol-1-yl)propan-2-amine
CID 3045224
(1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane
CID 66933157
(7S,8aS)-7-(cyclopropylmethoxy)-2-[(4-methoxyphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124794592
1-[(2-bromo-5-methoxyphenyl)methyl]-6-iodoindazole
CID 79785127

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5R)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole?
The IUPAC name of 1-[3-[(5R)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole (CID 118871715) is 1-[3-[(5R)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole.
What is the SMILES notation for 1-[3-[(5R)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole?
The canonical SMILES for 1-[3-[(5R)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole is COc1ccc2cnn(CC(C)CN3C4CC[C@@H]3CC(OCC3CC3)C4)c2c1.
What is the InChIKey of 1-[3-[(5R)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole?
The InChIKey is OHIAMUPUAFQXRN-BTVZNNDGSA-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-[3-[(5R)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole?
1-[3-[(5R)-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-[3-[(5R)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole is sourced from PubChem (CID 118871715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).