1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole

C23H33N3O — CID 118871666

IUPAC1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole
SMILESC[C@H](CN1[C@@H]2CC[C@H]1CC(OC1CCCC1)C2)Cn1ncc2ccccc21
InChIInChI=1S/C23H33N3O/c1-17(16-26-23-9-5-2-6-18(23)14-24-26)15-25-19-10-11-20(25)13-22(12-19)27-21-7-3-4-8-21/h2,5-6,9,14,17,19-22H,3-4,7-8,10-13,15-16H2,1H3/t17-,19-,20+,22?/m1/s1
InChIKeyAWUUNFLVDVKGSD-VIXCBWPKSA-N
MW367.54 g/mol
LogP4.63
Rot. Bonds6

About 1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole

1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole (PubChem CID 118871666) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole.

Molecular Properties

Compound Name1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole
PubChem CID118871666
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole
SMILESC[C@H](CN1[C@@H]2CC[C@H]1CC(OC1CCCC1)C2)Cn1ncc2ccccc21
InChIInChI=1S/C23H33N3O/c1-17(16-26-23-9-5-2-6-18(23)14-24-26)15-25-19-10-11-20(25)13-22(12-19)27-21-7-3-4-8-21/h2,5-6,9,14,17,19-22H,3-4,7-8,10-13,15-16H2,1H3/t17-,19-,20+,22?/m1/s1
InChIKeyAWUUNFLVDVKGSD-VIXCBWPKSA-N
XLogP4.63
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole?
The IUPAC name of 1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole (CID 118871666) is 1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole.
What is the SMILES notation for 1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole?
The canonical SMILES for 1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole is C[C@H](CN1[C@@H]2CC[C@H]1CC(OC1CCCC1)C2)Cn1ncc2ccccc21.
What is the InChIKey of 1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole?
The InChIKey is AWUUNFLVDVKGSD-VIXCBWPKSA-N. The full InChI is InChI=1S/C23H33N3O/c1-17(16-26-23-9-5-2-6-18(23)14-24-26)15-25-19-10-11-20(25)13-22(12-19)27-21-7-3-4-8-21/h2,5-6,9,14,17,19-22H,3-4,7-8,10-13,15-16H2,1H3/t17-,19-,20+,22?/m1/s1.
What are the key properties of 1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole?
1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole has a molecular weight of 367.54 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole is sourced from PubChem (CID 118871666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).