1,4-diazatricyclo[4.3.1.03,7]decan-4-yl(1H-indazol-3-yl)methanone

C16H18N4O — CID 118578495

IUPAC1,4-diazatricyclo[4.3.1.03,7]decan-4-yl(1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CC2CN3CCC2C1C3
InChIInChI=1S/C16H18N4O/c21-16(15-12-3-1-2-4-13(12)17-18-15)20-8-10-7-19-6-5-11(10)14(20)9-19/h1-4,10-11,14H,5-9H2,(H,17,18)
InChIKeyBSVVBTVKZZNNPT-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.34
Rot. Bonds1

About 1,4-diazatricyclo[4.3.1.03,7]decan-4-yl(1H-indazol-3-yl)methanone

1,4-diazatricyclo[4.3.1.03,7]decan-4-yl(1H-indazol-3-yl)methanone (PubChem CID 118578495) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1,4-diazatricyclo[4.3.1.03,7]decan-4-yl(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name1,4-diazatricyclo[4.3.1.03,7]decan-4-yl(1H-indazol-3-yl)methanone
PubChem CID118578495
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name1,4-diazatricyclo[4.3.1.03,7]decan-4-yl(1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CC2CN3CCC2C1C3
InChIInChI=1S/C16H18N4O/c21-16(15-12-3-1-2-4-13(12)17-18-15)20-8-10-7-19-6-5-11(10)14(20)9-19/h1-4,10-11,14H,5-9H2,(H,17,18)
InChIKeyBSVVBTVKZZNNPT-UHFFFAOYSA-N
XLogP1.34
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,6-diazatricyclo[5.3.1.04,8]undecan-6-yl(1H-indazol-3-yl)methanone;molecular hydrogen
CID 144976900
(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
[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-(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
1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465787
(2S)-4-hydroxy-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 61151942

Frequently Asked Questions

What is the IUPAC name of 1,4-diazatricyclo[4.3.1.03,7]decan-4-yl(1H-indazol-3-yl)methanone?
The IUPAC name of 1,4-diazatricyclo[4.3.1.03,7]decan-4-yl(1H-indazol-3-yl)methanone (CID 118578495) is 1,4-diazatricyclo[4.3.1.03,7]decan-4-yl(1H-indazol-3-yl)methanone.
What is the SMILES notation for 1,4-diazatricyclo[4.3.1.03,7]decan-4-yl(1H-indazol-3-yl)methanone?
The canonical SMILES for 1,4-diazatricyclo[4.3.1.03,7]decan-4-yl(1H-indazol-3-yl)methanone is O=C(c1n[nH]c2ccccc12)N1CC2CN3CCC2C1C3.
What is the InChIKey of 1,4-diazatricyclo[4.3.1.03,7]decan-4-yl(1H-indazol-3-yl)methanone?
The InChIKey is BSVVBTVKZZNNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c21-16(15-12-3-1-2-4-13(12)17-18-15)20-8-10-7-19-6-5-11(10)14(20)9-19/h1-4,10-11,14H,5-9H2,(H,17,18).
What are the key properties of 1,4-diazatricyclo[4.3.1.03,7]decan-4-yl(1H-indazol-3-yl)methanone?
1,4-diazatricyclo[4.3.1.03,7]decan-4-yl(1H-indazol-3-yl)methanone has a molecular weight of 282.35 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazatricyclo[4.3.1.03,7]decan-4-yl(1H-indazol-3-yl)methanone is sourced from PubChem (CID 118578495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).