[(1R,3S,8R)-2,6-diazatricyclo[4.3.1.03,8]decan-2-yl]-(6-methyl-1H-indazol-3-yl)methanone

C17H20N4O — CID 118576776

IUPAC[(1R,3S,8R)-2,6-diazatricyclo[4.3.1.03,8]decan-2-yl]-(6-methyl-1H-indazol-3-yl)methanone
SMILESCc1ccc2c(C(=O)N3[C@@H]4C[C@@H]5CN(CC[C@@H]53)C4)n[nH]c2c1
InChIInChI=1S/C17H20N4O/c1-10-2-3-13-14(6-10)18-19-16(13)17(22)21-12-7-11-8-20(9-12)5-4-15(11)21/h2-3,6,11-12,15H,4-5,7-9H2,1H3,(H,18,19)/t11-,12-,15+/m1/s1
InChIKeyXJNAJDXCVBQUSG-JMSVASOKSA-N
MW296.37 g/mol
LogP1.79
Rot. Bonds1

About [(1R,3S,8R)-2,6-diazatricyclo[4.3.1.03,8]decan-2-yl]-(6-methyl-1H-indazol-3-yl)methanone

[(1R,3S,8R)-2,6-diazatricyclo[4.3.1.03,8]decan-2-yl]-(6-methyl-1H-indazol-3-yl)methanone (PubChem CID 118576776) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is [(1R,3S,8R)-2,6-diazatricyclo[4.3.1.03,8]decan-2-yl]-(6-methyl-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[(1R,3S,8R)-2,6-diazatricyclo[4.3.1.03,8]decan-2-yl]-(6-methyl-1H-indazol-3-yl)methanone
PubChem CID118576776
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name[(1R,3S,8R)-2,6-diazatricyclo[4.3.1.03,8]decan-2-yl]-(6-methyl-1H-indazol-3-yl)methanone
SMILESCc1ccc2c(C(=O)N3[C@@H]4C[C@@H]5CN(CC[C@@H]53)C4)n[nH]c2c1
InChIInChI=1S/C17H20N4O/c1-10-2-3-13-14(6-10)18-19-16(13)17(22)21-12-7-11-8-20(9-12)5-4-15(11)21/h2-3,6,11-12,15H,4-5,7-9H2,1H3,(H,18,19)/t11-,12-,15+/m1/s1
InChIKeyXJNAJDXCVBQUSG-JMSVASOKSA-N
XLogP1.79
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R,3S,8R)-2,6-diazatricyclo[4.3.1.03,8]decan-2-yl]-(6-methyl-1H-indazol-3-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

Facinicline
CID 9970357
Kw-2449
CID 11427553
1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indazole-3-carboxamide
CID 5311254
5-[(1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one
CID 57989460
(2'S,3R)-2'-[3-[(E)-2-[4-[[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]methyl]phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 56960132
N-cyclopentyl-1H-indazole-3-carboxamide
CID 2563801
Facinicline hydrochloride
CID 10380472
N-[(1R,5S)-8-(6-piperidin-1-ylhexyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 70696825
N-[(1R,5S)-8-[6-[methyl(propan-2-yl)amino]hexyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 70696826
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(1H-indazol-3-yl)ethane-1,2-dione
CID 6481410
N-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]methyl]-5-methyl-1H-indazole-3-carboxamide
CID 9889536
1H-Indazole-3-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide
CID 10062433

Frequently Asked Questions

What is the IUPAC name of [(1R,3S,8R)-2,6-diazatricyclo[4.3.1.03,8]decan-2-yl]-(6-methyl-1H-indazol-3-yl)methanone?
The IUPAC name of [(1R,3S,8R)-2,6-diazatricyclo[4.3.1.03,8]decan-2-yl]-(6-methyl-1H-indazol-3-yl)methanone (CID 118576776) is [(1R,3S,8R)-2,6-diazatricyclo[4.3.1.03,8]decan-2-yl]-(6-methyl-1H-indazol-3-yl)methanone.
What is the SMILES notation for [(1R,3S,8R)-2,6-diazatricyclo[4.3.1.03,8]decan-2-yl]-(6-methyl-1H-indazol-3-yl)methanone?
The canonical SMILES for [(1R,3S,8R)-2,6-diazatricyclo[4.3.1.03,8]decan-2-yl]-(6-methyl-1H-indazol-3-yl)methanone is Cc1ccc2c(C(=O)N3[C@@H]4C[C@@H]5CN(CC[C@@H]53)C4)n[nH]c2c1.
What is the InChIKey of [(1R,3S,8R)-2,6-diazatricyclo[4.3.1.03,8]decan-2-yl]-(6-methyl-1H-indazol-3-yl)methanone?
The InChIKey is XJNAJDXCVBQUSG-JMSVASOKSA-N. The full InChI is InChI=1S/C17H20N4O/c1-10-2-3-13-14(6-10)18-19-16(13)17(22)21-12-7-11-8-20(9-12)5-4-15(11)21/h2-3,6,11-12,15H,4-5,7-9H2,1H3,(H,18,19)/t11-,12-,15+/m1/s1.
What are the key properties of [(1R,3S,8R)-2,6-diazatricyclo[4.3.1.03,8]decan-2-yl]-(6-methyl-1H-indazol-3-yl)methanone?
[(1R,3S,8R)-2,6-diazatricyclo[4.3.1.03,8]decan-2-yl]-(6-methyl-1H-indazol-3-yl)methanone has a molecular weight of 296.37 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S,8R)-2,6-diazatricyclo[4.3.1.03,8]decan-2-yl]-(6-methyl-1H-indazol-3-yl)methanone is sourced from PubChem (CID 118576776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).