1,4-diazabicyclo[3.2.2]nonan-4-yl(1H-indazol-4-yl)methanone

C15H18N4O — CID 11514570

IUPAC1,4-diazabicyclo[3.2.2]nonan-4-yl(1H-indazol-4-yl)methanone
SMILESO=C(c1cccc2[nH]ncc12)N1CCN2CCC1CC2
InChIInChI=1S/C15H18N4O/c20-15(12-2-1-3-14-13(12)10-16-17-14)19-9-8-18-6-4-11(19)5-7-18/h1-3,10-11H,4-9H2,(H,16,17)
InChIKeyBPQJXXAKRZXHNG-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.48
Rot. Bonds1

About 1,4-diazabicyclo[3.2.2]nonan-4-yl(1H-indazol-4-yl)methanone

1,4-diazabicyclo[3.2.2]nonan-4-yl(1H-indazol-4-yl)methanone (PubChem CID 11514570) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1,4-diazabicyclo[3.2.2]nonan-4-yl(1H-indazol-4-yl)methanone.

Molecular Properties

Compound Name1,4-diazabicyclo[3.2.2]nonan-4-yl(1H-indazol-4-yl)methanone
PubChem CID11514570
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1,4-diazabicyclo[3.2.2]nonan-4-yl(1H-indazol-4-yl)methanone
SMILESO=C(c1cccc2[nH]ncc12)N1CCN2CCC1CC2
InChIInChI=1S/C15H18N4O/c20-15(12-2-1-3-14-13(12)10-16-17-14)19-9-8-18-6-4-11(19)5-7-18/h1-3,10-11H,4-9H2,(H,16,17)
InChIKeyBPQJXXAKRZXHNG-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-4-yl-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95736162
1H-indazol-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 166207032
[4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 110468728
1H-indazol-4-yl-[4-(2-methylpropoxy)piperidin-1-yl]methanone
CID 51090766
1H-indazol-4-yl-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95736031
[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1H-indazol-4-yl)methanone
CID 100671336
7-amino-2-(1H-indazole-4-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 166242481
[4-(4-chlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 166189721
N-(2-azabicyclo[2.2.2]octan-2-yl)-1H-indazole-4-carboxamide
CID 67288688
1H-indazol-4-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733966
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(1H-indazol-4-yl)methanone
CID 71938369
[4-(3-hydroxyphenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 166229211

Frequently Asked Questions

What is the IUPAC name of 1,4-diazabicyclo[3.2.2]nonan-4-yl(1H-indazol-4-yl)methanone?
The IUPAC name of 1,4-diazabicyclo[3.2.2]nonan-4-yl(1H-indazol-4-yl)methanone (CID 11514570) is 1,4-diazabicyclo[3.2.2]nonan-4-yl(1H-indazol-4-yl)methanone.
What is the SMILES notation for 1,4-diazabicyclo[3.2.2]nonan-4-yl(1H-indazol-4-yl)methanone?
The canonical SMILES for 1,4-diazabicyclo[3.2.2]nonan-4-yl(1H-indazol-4-yl)methanone is O=C(c1cccc2[nH]ncc12)N1CCN2CCC1CC2.
What is the InChIKey of 1,4-diazabicyclo[3.2.2]nonan-4-yl(1H-indazol-4-yl)methanone?
The InChIKey is BPQJXXAKRZXHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(12-2-1-3-14-13(12)10-16-17-14)19-9-8-18-6-4-11(19)5-7-18/h1-3,10-11H,4-9H2,(H,16,17).
What are the key properties of 1,4-diazabicyclo[3.2.2]nonan-4-yl(1H-indazol-4-yl)methanone?
1,4-diazabicyclo[3.2.2]nonan-4-yl(1H-indazol-4-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 1,4-diazabicyclo[3.2.2]nonan-4-yl(1H-indazol-4-yl)methanone is sourced from PubChem (CID 11514570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).