3-(5-chloro-1H-indazol-6-yl)-8-methyl-3-azabicyclo[3.2.1]octan-8-ol

C15H18ClN3O — CID 155381294

IUPAC3-(5-chloro-1H-indazol-6-yl)-8-methyl-3-azabicyclo[3.2.1]octan-8-ol
SMILESCC1(O)C2CCC1CN(c1cc3[nH]ncc3cc1Cl)C2
InChIInChI=1S/C15H18ClN3O/c1-15(20)10-2-3-11(15)8-19(7-10)14-5-13-9(4-12(14)16)6-17-18-13/h4-6,10-11,20H,2-3,7-8H2,1H3,(H,17,18)
InChIKeyQZEGKIOQVBCHTF-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.81
Rot. Bonds1

About 3-(5-chloro-1H-indazol-6-yl)-8-methyl-3-azabicyclo[3.2.1]octan-8-ol

3-(5-chloro-1H-indazol-6-yl)-8-methyl-3-azabicyclo[3.2.1]octan-8-ol (PubChem CID 155381294) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 3-(5-chloro-1H-indazol-6-yl)-8-methyl-3-azabicyclo[3.2.1]octan-8-ol.

Molecular Properties

Compound Name3-(5-chloro-1H-indazol-6-yl)-8-methyl-3-azabicyclo[3.2.1]octan-8-ol
PubChem CID155381294
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name3-(5-chloro-1H-indazol-6-yl)-8-methyl-3-azabicyclo[3.2.1]octan-8-ol
SMILESCC1(O)C2CCC1CN(c1cc3[nH]ncc3cc1Cl)C2
InChIInChI=1S/C15H18ClN3O/c1-15(20)10-2-3-11(15)8-19(7-10)14-5-13-9(4-12(14)16)6-17-18-13/h4-6,10-11,20H,2-3,7-8H2,1H3,(H,17,18)
InChIKeyQZEGKIOQVBCHTF-UHFFFAOYSA-N
XLogP2.81
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1H-indazol-6-yl)-8-methyl-3-azabicyclo[3.2.1]octan-8-ol?
The IUPAC name of 3-(5-chloro-1H-indazol-6-yl)-8-methyl-3-azabicyclo[3.2.1]octan-8-ol (CID 155381294) is 3-(5-chloro-1H-indazol-6-yl)-8-methyl-3-azabicyclo[3.2.1]octan-8-ol.
What is the SMILES notation for 3-(5-chloro-1H-indazol-6-yl)-8-methyl-3-azabicyclo[3.2.1]octan-8-ol?
The canonical SMILES for 3-(5-chloro-1H-indazol-6-yl)-8-methyl-3-azabicyclo[3.2.1]octan-8-ol is CC1(O)C2CCC1CN(c1cc3[nH]ncc3cc1Cl)C2.
What is the InChIKey of 3-(5-chloro-1H-indazol-6-yl)-8-methyl-3-azabicyclo[3.2.1]octan-8-ol?
The InChIKey is QZEGKIOQVBCHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-15(20)10-2-3-11(15)8-19(7-10)14-5-13-9(4-12(14)16)6-17-18-13/h4-6,10-11,20H,2-3,7-8H2,1H3,(H,17,18).
What are the key properties of 3-(5-chloro-1H-indazol-6-yl)-8-methyl-3-azabicyclo[3.2.1]octan-8-ol?
3-(5-chloro-1H-indazol-6-yl)-8-methyl-3-azabicyclo[3.2.1]octan-8-ol has a molecular weight of 291.78 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1H-indazol-6-yl)-8-methyl-3-azabicyclo[3.2.1]octan-8-ol is sourced from PubChem (CID 155381294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).