1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-9-azabicyclo[3.3.1]nonan-9-yl]-2-methylpropyl]indazole

C24H35N3O — CID 129191685

IUPAC1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-9-azabicyclo[3.3.1]nonan-9-yl]-2-methylpropyl]indazole
SMILESC[C@H](CN1[C@@H]2CCC[C@H]1CC(OC1CCCC1)C2)Cn1ncc2ccccc21
InChIInChI=1S/C24H35N3O/c1-18(17-27-24-12-5-2-7-19(24)15-25-27)16-26-20-8-6-9-21(26)14-23(13-20)28-22-10-3-4-11-22/h2,5,7,12,15,18,20-23H,3-4,6,8-11,13-14,16-17H2,1H3/t18-,20-,21+,23?/m1/s1
InChIKeyAIBGMZZZDUPBIH-ZTGNMCTISA-N
MW381.56 g/mol
LogP5.02
Rot. Bonds6

About 1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-9-azabicyclo[3.3.1]nonan-9-yl]-2-methylpropyl]indazole

1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-9-azabicyclo[3.3.1]nonan-9-yl]-2-methylpropyl]indazole (PubChem CID 129191685) has the molecular formula C24H35N3O and a molecular weight of 381.56 g/mol. Its IUPAC name is 1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-9-azabicyclo[3.3.1]nonan-9-yl]-2-methylpropyl]indazole.

Molecular Properties

Compound Name1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-9-azabicyclo[3.3.1]nonan-9-yl]-2-methylpropyl]indazole
PubChem CID129191685
Molecular FormulaC24H35N3O
Molecular Weight381.56 g/mol
Exact Mass381.28
IUPAC Name1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-9-azabicyclo[3.3.1]nonan-9-yl]-2-methylpropyl]indazole
SMILESC[C@H](CN1[C@@H]2CCC[C@H]1CC(OC1CCCC1)C2)Cn1ncc2ccccc21
InChIInChI=1S/C24H35N3O/c1-18(17-27-24-12-5-2-7-19(24)15-25-27)16-26-20-8-6-9-21(26)14-23(13-20)28-22-10-3-4-11-22/h2,5,7,12,15,18,20-23H,3-4,6,8-11,13-14,16-17H2,1H3/t18-,20-,21+,23?/m1/s1
InChIKeyAIBGMZZZDUPBIH-ZTGNMCTISA-N
XLogP5.02
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 55.02
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-9-azabicyclo[3.3.1]nonan-9-yl]-2-methylpropyl]indazole?
The IUPAC name of 1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-9-azabicyclo[3.3.1]nonan-9-yl]-2-methylpropyl]indazole (CID 129191685) is 1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-9-azabicyclo[3.3.1]nonan-9-yl]-2-methylpropyl]indazole.
What is the SMILES notation for 1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-9-azabicyclo[3.3.1]nonan-9-yl]-2-methylpropyl]indazole?
The canonical SMILES for 1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-9-azabicyclo[3.3.1]nonan-9-yl]-2-methylpropyl]indazole is C[C@H](CN1[C@@H]2CCC[C@H]1CC(OC1CCCC1)C2)Cn1ncc2ccccc21.
What is the InChIKey of 1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-9-azabicyclo[3.3.1]nonan-9-yl]-2-methylpropyl]indazole?
The InChIKey is AIBGMZZZDUPBIH-ZTGNMCTISA-N. The full InChI is InChI=1S/C24H35N3O/c1-18(17-27-24-12-5-2-7-19(24)15-25-27)16-26-20-8-6-9-21(26)14-23(13-20)28-22-10-3-4-11-22/h2,5,7,12,15,18,20-23H,3-4,6,8-11,13-14,16-17H2,1H3/t18-,20-,21+,23?/m1/s1.
What are the key properties of 1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-9-azabicyclo[3.3.1]nonan-9-yl]-2-methylpropyl]indazole?
1-[(2R)-3-[(1R,5S)-3-cyclopentyloxy-9-azabicyclo[3.3.1]nonan-9-yl]-2-methylpropyl]indazole has a molecular weight of 381.56 g/mol, XLogP of 5.02, 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-9-azabicyclo[3.3.1]nonan-9-yl]-2-methylpropyl]indazole is sourced from PubChem (CID 129191685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).