(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) 1-(2-fluoroethyl)indazole-3-carboxylate

C19H24FN3O2 — CID 118436647

IUPAC(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) 1-(2-fluoroethyl)indazole-3-carboxylate
SMILESCN1C2CCCC1CC(OC(=O)c1nn(CCF)c3ccccc13)C2
InChIInChI=1S/C19H24FN3O2/c1-22-13-5-4-6-14(22)12-15(11-13)25-19(24)18-16-7-2-3-8-17(16)23(21-18)10-9-20/h2-3,7-8,13-15H,4-6,9-12H2,1H3
InChIKeyPWWWQEOFIZVJFR-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.18
Rot. Bonds4

About (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) 1-(2-fluoroethyl)indazole-3-carboxylate

(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) 1-(2-fluoroethyl)indazole-3-carboxylate (PubChem CID 118436647) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) 1-(2-fluoroethyl)indazole-3-carboxylate.

Molecular Properties

Compound Name(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) 1-(2-fluoroethyl)indazole-3-carboxylate
PubChem CID118436647
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) 1-(2-fluoroethyl)indazole-3-carboxylate
SMILESCN1C2CCCC1CC(OC(=O)c1nn(CCF)c3ccccc13)C2
InChIInChI=1S/C19H24FN3O2/c1-22-13-5-4-6-14(22)12-15(11-13)25-19(24)18-16-7-2-3-8-17(16)23(21-18)10-9-20/h2-3,7-8,13-15H,4-6,9-12H2,1H3
InChIKeyPWWWQEOFIZVJFR-UHFFFAOYSA-N
XLogP3.18
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl] 2-chloro-1-(2-fluoroethyl)indole-3-carboxylate
CID 118436662
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 5-fluoro-4-oxo-1-propylcinnoline-3-carboxylate
CID 15232969
1-(5-fluoropentyl)indazole-3-carboxylic acid
CID 102334108
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1-(3-methylbutyl)-2-oxoquinoline-4-carboxylate
CID 10022793
1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
CID 6918003
carbamoyl 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxylate
CID 141138966
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) quinoline-3-carboxylate
CID 54421327
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide;hydrochloride
CID 19423202
[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
CID 10733247
methanesulfonic acid;1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 71728255
1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;sulfuric acid
CID 46912690
[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl] 2-oxo-3H-benzimidazole-1-carboxylate
CID 14762847

Frequently Asked Questions

What is the IUPAC name of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) 1-(2-fluoroethyl)indazole-3-carboxylate?
The IUPAC name of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) 1-(2-fluoroethyl)indazole-3-carboxylate (CID 118436647) is (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) 1-(2-fluoroethyl)indazole-3-carboxylate.
What is the SMILES notation for (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) 1-(2-fluoroethyl)indazole-3-carboxylate?
The canonical SMILES for (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) 1-(2-fluoroethyl)indazole-3-carboxylate is CN1C2CCCC1CC(OC(=O)c1nn(CCF)c3ccccc13)C2.
What is the InChIKey of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) 1-(2-fluoroethyl)indazole-3-carboxylate?
The InChIKey is PWWWQEOFIZVJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-22-13-5-4-6-14(22)12-15(11-13)25-19(24)18-16-7-2-3-8-17(16)23(21-18)10-9-20/h2-3,7-8,13-15H,4-6,9-12H2,1H3.
What are the key properties of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) 1-(2-fluoroethyl)indazole-3-carboxylate?
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) 1-(2-fluoroethyl)indazole-3-carboxylate has a molecular weight of 345.42 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) 1-(2-fluoroethyl)indazole-3-carboxylate is sourced from PubChem (CID 118436647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).