6-methoxy-1-[(2R)-3-[3-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole

C22H33N3O2 — CID 118871669

IUPAC6-methoxy-1-[(2R)-3-[3-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole
SMILESCOCCC1CC2CCC(C1)N2C[C@@H](C)Cn1ncc2ccc(OC)cc21
InChIInChI=1S/C22H33N3O2/c1-16(15-25-22-12-21(27-3)7-4-18(22)13-23-25)14-24-19-5-6-20(24)11-17(10-19)8-9-26-2/h4,7,12-13,16-17,19-20H,5-6,8-11,14-15H2,1-3H3/t16-,17?,19?,20?/m1/s1
InChIKeyDGORWGKJIHHKIC-WZOHVRDPSA-N
MW371.53 g/mol
LogP3.96
Rot. Bonds8

About 6-methoxy-1-[(2R)-3-[3-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole

6-methoxy-1-[(2R)-3-[3-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole (PubChem CID 118871669) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 6-methoxy-1-[(2R)-3-[3-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole.

Molecular Properties

Compound Name6-methoxy-1-[(2R)-3-[3-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole
PubChem CID118871669
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name6-methoxy-1-[(2R)-3-[3-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole
SMILESCOCCC1CC2CCC(C1)N2C[C@@H](C)Cn1ncc2ccc(OC)cc21
InChIInChI=1S/C22H33N3O2/c1-16(15-25-22-12-21(27-3)7-4-18(22)13-23-25)14-24-19-5-6-20(24)11-17(10-19)8-9-26-2/h4,7,12-13,16-17,19-20H,5-6,8-11,14-15H2,1-3H3/t16-,17?,19?,20?/m1/s1
InChIKeyDGORWGKJIHHKIC-WZOHVRDPSA-N
XLogP3.96
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-[(2R)-3-[3-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole?
The IUPAC name of 6-methoxy-1-[(2R)-3-[3-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole (CID 118871669) is 6-methoxy-1-[(2R)-3-[3-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole.
What is the SMILES notation for 6-methoxy-1-[(2R)-3-[3-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole?
The canonical SMILES for 6-methoxy-1-[(2R)-3-[3-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole is COCCC1CC2CCC(C1)N2C[C@@H](C)Cn1ncc2ccc(OC)cc21.
What is the InChIKey of 6-methoxy-1-[(2R)-3-[3-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole?
The InChIKey is DGORWGKJIHHKIC-WZOHVRDPSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-16(15-25-22-12-21(27-3)7-4-18(22)13-23-25)14-24-19-5-6-20(24)11-17(10-19)8-9-26-2/h4,7,12-13,16-17,19-20H,5-6,8-11,14-15H2,1-3H3/t16-,17?,19?,20?/m1/s1.
What are the key properties of 6-methoxy-1-[(2R)-3-[3-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole?
6-methoxy-1-[(2R)-3-[3-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole has a molecular weight of 371.53 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-[(2R)-3-[3-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole is sourced from PubChem (CID 118871669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).