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

C23H33N3O — CID 118871711

IUPAC1-[(2R)-3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-5-methylindazole
SMILESCc1ccc2c(cnn2C[C@H](C)CN2C3CCC2CC(OCC2CC2)C3)c1
InChIInChI=1S/C23H33N3O/c1-16-3-8-23-19(9-16)12-24-26(23)14-17(2)13-25-20-6-7-21(25)11-22(10-20)27-15-18-4-5-18/h3,8-9,12,17-18,20-22H,4-7,10-11,13-15H2,1-2H3/t17-,20?,21?,22?/m1/s1
InChIKeyJRJZHTCPZCYIBW-LAQKFSSHSA-N
MW367.54 g/mol
LogP4.40
Rot. Bonds7

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

1-[(2R)-3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-5-methylindazole (PubChem CID 118871711) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 1-[(2R)-3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-5-methylindazole.

Molecular Properties

Compound Name1-[(2R)-3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-5-methylindazole
PubChem CID118871711
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name1-[(2R)-3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-5-methylindazole
SMILESCc1ccc2c(cnn2C[C@H](C)CN2C3CCC2CC(OCC2CC2)C3)c1
InChIInChI=1S/C23H33N3O/c1-16-3-8-23-19(9-16)12-24-26(23)14-17(2)13-25-20-6-7-21(25)11-22(10-20)27-15-18-4-5-18/h3,8-9,12,17-18,20-22H,4-7,10-11,13-15H2,1-2H3/t17-,20?,21?,22?/m1/s1
InChIKeyJRJZHTCPZCYIBW-LAQKFSSHSA-N
XLogP4.40
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-5-methylindazole?
The IUPAC name of 1-[(2R)-3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-5-methylindazole (CID 118871711) is 1-[(2R)-3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-5-methylindazole.
What is the SMILES notation for 1-[(2R)-3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-5-methylindazole?
The canonical SMILES for 1-[(2R)-3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-5-methylindazole is Cc1ccc2c(cnn2C[C@H](C)CN2C3CCC2CC(OCC2CC2)C3)c1.
What is the InChIKey of 1-[(2R)-3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-5-methylindazole?
The InChIKey is JRJZHTCPZCYIBW-LAQKFSSHSA-N. The full InChI is InChI=1S/C23H33N3O/c1-16-3-8-23-19(9-16)12-24-26(23)14-17(2)13-25-20-6-7-21(25)11-22(10-20)27-15-18-4-5-18/h3,8-9,12,17-18,20-22H,4-7,10-11,13-15H2,1-2H3/t17-,20?,21?,22?/m1/s1.
What are the key properties of 1-[(2R)-3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-5-methylindazole?
1-[(2R)-3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-5-methylindazole has a molecular weight of 367.54 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-5-methylindazole is sourced from PubChem (CID 118871711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).