1,6-diazatricyclo[5.3.1.04,8]undecan-6-yl(1H-indazol-3-yl)methanone;molecular hydrogen

C17H22N4O — CID 144976900

IUPAC1,6-diazatricyclo[5.3.1.04,8]undecan-6-yl(1H-indazol-3-yl)methanone;molecular hydrogen
SMILESO=C(c1n[nH]c2ccccc12)N1CC2CCN3CCC2C1C3.[H][H]
InChIInChI=1S/C17H20N4O.H2/c22-17(16-13-3-1-2-4-14(13)18-19-16)21-9-11-5-7-20-8-6-12(11)15(21)10-20;/h1-4,11-12,15H,5-10H2,(H,18,19);1H
InChIKeyJEKNYEJPQBIKNN-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.98
Rot. Bonds1

About 1,6-diazatricyclo[5.3.1.04,8]undecan-6-yl(1H-indazol-3-yl)methanone;molecular hydrogen

1,6-diazatricyclo[5.3.1.04,8]undecan-6-yl(1H-indazol-3-yl)methanone;molecular hydrogen (PubChem CID 144976900) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1,6-diazatricyclo[5.3.1.04,8]undecan-6-yl(1H-indazol-3-yl)methanone;molecular hydrogen.

Molecular Properties

Compound Name1,6-diazatricyclo[5.3.1.04,8]undecan-6-yl(1H-indazol-3-yl)methanone;molecular hydrogen
PubChem CID144976900
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1,6-diazatricyclo[5.3.1.04,8]undecan-6-yl(1H-indazol-3-yl)methanone;molecular hydrogen
SMILESO=C(c1n[nH]c2ccccc12)N1CC2CCN3CCC2C1C3.[H][H]
InChIInChI=1S/C17H20N4O.H2/c22-17(16-13-3-1-2-4-14(13)18-19-16)21-9-11-5-7-20-8-6-12(11)15(21)10-20;/h1-4,11-12,15H,5-10H2,(H,18,19);1H
InChIKeyJEKNYEJPQBIKNN-UHFFFAOYSA-N
XLogP1.98
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-diazatricyclo[4.3.1.03,7]decan-4-yl(1H-indazol-3-yl)methanone
CID 118578495
(6-chloro-1H-indazol-3-yl)-[(6S)-1,4-diazatricyclo[4.3.1.03,7]decan-4-yl]methanone
CID 118580576
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(1H-indazol-3-yl)methanone
CID 43594809
2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-(1H-indazol-3-yl)ethanone;hydrochloride
CID 159366954
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl)methanone
CID 59749066
2,5-diazabicyclo[2.2.2]octan-2-yl(1H-indazol-3-yl)methanone
CID 11161171
1H-indazol-3-yl-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone
CID 94200752
2,5-diazabicyclo[2.2.1]heptan-2-yl(1H-indazol-3-yl)methanone
CID 69289370
1H-indazol-3-yl-(3-methyl-1,4-oxazepan-4-yl)methanone
CID 146091978
1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone
CID 69289285
[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(1H-indazol-3-yl)methanone;hydrochloride
CID 66932254

Frequently Asked Questions

What is the IUPAC name of 1,6-diazatricyclo[5.3.1.04,8]undecan-6-yl(1H-indazol-3-yl)methanone;molecular hydrogen?
The IUPAC name of 1,6-diazatricyclo[5.3.1.04,8]undecan-6-yl(1H-indazol-3-yl)methanone;molecular hydrogen (CID 144976900) is 1,6-diazatricyclo[5.3.1.04,8]undecan-6-yl(1H-indazol-3-yl)methanone;molecular hydrogen.
What is the SMILES notation for 1,6-diazatricyclo[5.3.1.04,8]undecan-6-yl(1H-indazol-3-yl)methanone;molecular hydrogen?
The canonical SMILES for 1,6-diazatricyclo[5.3.1.04,8]undecan-6-yl(1H-indazol-3-yl)methanone;molecular hydrogen is O=C(c1n[nH]c2ccccc12)N1CC2CCN3CCC2C1C3.[H][H].
What is the InChIKey of 1,6-diazatricyclo[5.3.1.04,8]undecan-6-yl(1H-indazol-3-yl)methanone;molecular hydrogen?
The InChIKey is JEKNYEJPQBIKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O.H2/c22-17(16-13-3-1-2-4-14(13)18-19-16)21-9-11-5-7-20-8-6-12(11)15(21)10-20;/h1-4,11-12,15H,5-10H2,(H,18,19);1H.
What are the key properties of 1,6-diazatricyclo[5.3.1.04,8]undecan-6-yl(1H-indazol-3-yl)methanone;molecular hydrogen?
1,6-diazatricyclo[5.3.1.04,8]undecan-6-yl(1H-indazol-3-yl)methanone;molecular hydrogen has a molecular weight of 298.39 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diazatricyclo[5.3.1.04,8]undecan-6-yl(1H-indazol-3-yl)methanone;molecular hydrogen is sourced from PubChem (CID 144976900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).