2,5-diazabicyclo[2.2.2]octan-2-yl-(5-methoxy-1H-indazol-3-yl)methanone;hydrochloride

C15H19ClN4O2 — CID 11738804

IUPAC2,5-diazabicyclo[2.2.2]octan-2-yl-(5-methoxy-1H-indazol-3-yl)methanone;hydrochloride
SMILESCOc1ccc2[nH]nc(C(=O)N3CC4CCC3CN4)c2c1.Cl
InChIInChI=1S/C15H18N4O2.ClH/c1-21-11-4-5-13-12(6-11)14(18-17-13)15(20)19-8-9-2-3-10(19)7-16-9;/h4-6,9-10,16H,2-3,7-8H2,1H3,(H,17,18);1H
InChIKeyWHDPJLXHXUIWBW-UHFFFAOYSA-N
MW322.80 g/mol
LogP1.57
Rot. Bonds2

About 2,5-diazabicyclo[2.2.2]octan-2-yl-(5-methoxy-1H-indazol-3-yl)methanone;hydrochloride

2,5-diazabicyclo[2.2.2]octan-2-yl-(5-methoxy-1H-indazol-3-yl)methanone;hydrochloride (PubChem CID 11738804) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 2,5-diazabicyclo[2.2.2]octan-2-yl-(5-methoxy-1H-indazol-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name2,5-diazabicyclo[2.2.2]octan-2-yl-(5-methoxy-1H-indazol-3-yl)methanone;hydrochloride
PubChem CID11738804
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name2,5-diazabicyclo[2.2.2]octan-2-yl-(5-methoxy-1H-indazol-3-yl)methanone;hydrochloride
SMILESCOc1ccc2[nH]nc(C(=O)N3CC4CCC3CN4)c2c1.Cl
InChIInChI=1S/C15H18N4O2.ClH/c1-21-11-4-5-13-12(6-11)14(18-17-13)15(20)19-8-9-2-3-10(19)7-16-9;/h4-6,9-10,16H,2-3,7-8H2,1H3,(H,17,18);1H
InChIKeyWHDPJLXHXUIWBW-UHFFFAOYSA-N
XLogP1.57
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,5-diazabicyclo[2.2.2]octan-2-yl-(5-methoxy-1H-indazol-3-yl)methanone;hydrochloride with MolForge

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Related Compounds

2,5-diazabicyclo[2.2.2]octan-2-yl(1H-indazol-3-yl)methanone
CID 11161171
[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(1H-indazol-3-yl)methanone;hydrochloride
CID 66932254
2,5-diazabicyclo[2.2.1]heptan-2-yl(1H-indazol-3-yl)methanone
CID 69289370
5-methoxy-N-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide
CID 67274033
1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl)methanone
CID 59749066
5-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide
CID 11509046
[3-(1,4-diazabicyclo[3.2.1]octane-4-carbonyl)-1H-indazol-5-yl] methanesulfonate;oxalic acid
CID 87586424
1-azabicyclo[2.2.2]octan-3-yl 5-methoxy-1H-indazole-3-carboxylate;formic acid
CID 11695936
8-(5-methoxy-1H-indazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70752123
[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methoxy-1H-indazol-3-yl)methanone
CID 95711696
(4aS,8aR)-6-(5-methoxy-1H-indazole-3-carbonyl)-1-[2-(methylamino)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 70736289
5-methoxy-N-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1H-indazole-3-carboxamide
CID 70742876

Frequently Asked Questions

What is the IUPAC name of 2,5-diazabicyclo[2.2.2]octan-2-yl-(5-methoxy-1H-indazol-3-yl)methanone;hydrochloride?
The IUPAC name of 2,5-diazabicyclo[2.2.2]octan-2-yl-(5-methoxy-1H-indazol-3-yl)methanone;hydrochloride (CID 11738804) is 2,5-diazabicyclo[2.2.2]octan-2-yl-(5-methoxy-1H-indazol-3-yl)methanone;hydrochloride.
What is the SMILES notation for 2,5-diazabicyclo[2.2.2]octan-2-yl-(5-methoxy-1H-indazol-3-yl)methanone;hydrochloride?
The canonical SMILES for 2,5-diazabicyclo[2.2.2]octan-2-yl-(5-methoxy-1H-indazol-3-yl)methanone;hydrochloride is COc1ccc2[nH]nc(C(=O)N3CC4CCC3CN4)c2c1.Cl.
What is the InChIKey of 2,5-diazabicyclo[2.2.2]octan-2-yl-(5-methoxy-1H-indazol-3-yl)methanone;hydrochloride?
The InChIKey is WHDPJLXHXUIWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2.ClH/c1-21-11-4-5-13-12(6-11)14(18-17-13)15(20)19-8-9-2-3-10(19)7-16-9;/h4-6,9-10,16H,2-3,7-8H2,1H3,(H,17,18);1H.
What are the key properties of 2,5-diazabicyclo[2.2.2]octan-2-yl-(5-methoxy-1H-indazol-3-yl)methanone;hydrochloride?
2,5-diazabicyclo[2.2.2]octan-2-yl-(5-methoxy-1H-indazol-3-yl)methanone;hydrochloride has a molecular weight of 322.80 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diazabicyclo[2.2.2]octan-2-yl-(5-methoxy-1H-indazol-3-yl)methanone;hydrochloride is sourced from PubChem (CID 11738804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).