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

C15H18N4O — CID 59749066

IUPAC1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl)methanone
SMILESCN1CC2CCC1CN2C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C15H18N4O/c1-18-8-11-7-6-10(18)9-19(11)15(20)14-12-4-2-3-5-13(12)16-17-14/h2-5,10-11H,6-9H2,1H3,(H,16,17)
InChIKeyRSNFFLDXIRQLFR-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.48
Rot. Bonds1

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

1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl)methanone (PubChem CID 59749066) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl)methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl)methanone
PubChem CID59749066
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl)methanone
SMILESCN1CC2CCC1CN2C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C15H18N4O/c1-18-8-11-7-6-10(18)9-19(11)15(20)14-12-4-2-3-5-13(12)16-17-14/h2-5,10-11H,6-9H2,1H3,(H,16,17)
InChIKeyRSNFFLDXIRQLFR-UHFFFAOYSA-N
XLogP1.48
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone
CID 69289285
2,5-diazabicyclo[2.2.2]octan-2-yl(1H-indazol-3-yl)methanone
CID 11161171
1H-indazol-3-yl-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 11681223
(1R,5R)-6-(1H-indazole-3-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 72870268
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indazol-3-yl)methanone
CID 72843968
2,5-diazabicyclo[2.2.1]heptan-2-yl(1H-indazol-3-yl)methanone
CID 69289370
formic acid;1H-indazol-3-yl-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 11681222
[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(1H-indazol-3-yl)methanone;hydrochloride
CID 66932254
1H-indazol-3-yl-[(1S,5R)-3-(pyridin-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 70762773
(3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
CID 64982606
1H-indazole-3-carboxamide;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane
CID 67338966
1H-indazol-3-yl-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone
CID 94200752

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl)methanone?
The IUPAC name of 1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl)methanone (CID 59749066) is 1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl)methanone.
What is the SMILES notation for 1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl)methanone?
The canonical SMILES for 1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl)methanone is CN1CC2CCC1CN2C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of 1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl)methanone?
The InChIKey is RSNFFLDXIRQLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-18-8-11-7-6-10(18)9-19(11)15(20)14-12-4-2-3-5-13(12)16-17-14/h2-5,10-11H,6-9H2,1H3,(H,16,17).
What are the key properties of 1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl)methanone?
1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl)methanone has a molecular weight of 270.34 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl)methanone is sourced from PubChem (CID 59749066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).