[9-hydroxy-7-(1H-indole-3-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indol-3-yl)methanone

C27H28N4O3 — CID 39378328

IUPAC[9-hydroxy-7-(1H-indole-3-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indol-3-yl)methanone
SMILESCC12CN(C(=O)c3c[nH]c4ccccc34)CC(C)(CN(C(=O)c3c[nH]c4ccccc34)C1)C2O
InChIInChI=1S/C27H28N4O3/c1-26-13-30(23(32)19-11-28-21-9-5-3-7-17(19)21)15-27(2,25(26)34)16-31(14-26)24(33)20-12-29-22-10-6-4-8-18(20)22/h3-12,25,28-29,34H,13-16H2,1-2H3
InChIKeyXDSMUWUCHCAHAV-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.63
Rot. Bonds2

About [9-hydroxy-7-(1H-indole-3-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indol-3-yl)methanone

[9-hydroxy-7-(1H-indole-3-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indol-3-yl)methanone (PubChem CID 39378328) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is [9-hydroxy-7-(1H-indole-3-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[9-hydroxy-7-(1H-indole-3-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indol-3-yl)methanone
PubChem CID39378328
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC Name[9-hydroxy-7-(1H-indole-3-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indol-3-yl)methanone
SMILESCC12CN(C(=O)c3c[nH]c4ccccc34)CC(C)(CN(C(=O)c3c[nH]c4ccccc34)C1)C2O
InChIInChI=1S/C27H28N4O3/c1-26-13-30(23(32)19-11-28-21-9-5-3-7-17(19)21)15-27(2,25(26)34)16-31(14-26)24(33)20-12-29-22-10-6-4-8-18(20)22/h3-12,25,28-29,34H,13-16H2,1-2H3
InChIKeyXDSMUWUCHCAHAV-UHFFFAOYSA-N
XLogP3.63
TPSA92.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [9-hydroxy-7-(1H-indole-3-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indol-3-yl)methanone with MolForge

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Related Compounds

(3,3-dimethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 79036861
(3,3-dimethylpiperazin-1-yl)-(1H-indol-3-yl)methanone
CID 115273190
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1H-indol-3-yl)methanone
CID 66210625
(4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone
CID 65281682
1-(1H-indole-3-carbonyl)azetidine-3-carboxylic acid
CID 71300283
1H-indol-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 50985596
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone
CID 90511875
(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 113253973
(3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone
CID 90511665
cyclopentyl-[4-(1H-indole-3-carbonyl)piperazin-1-yl]methanone
CID 110801628
(4-ethyl-3-methylpiperazin-1-yl)-(1H-indol-3-yl)methanone
CID 63605636

Frequently Asked Questions

What is the IUPAC name of [9-hydroxy-7-(1H-indole-3-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indol-3-yl)methanone?
The IUPAC name of [9-hydroxy-7-(1H-indole-3-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indol-3-yl)methanone (CID 39378328) is [9-hydroxy-7-(1H-indole-3-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indol-3-yl)methanone.
What is the SMILES notation for [9-hydroxy-7-(1H-indole-3-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indol-3-yl)methanone?
The canonical SMILES for [9-hydroxy-7-(1H-indole-3-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indol-3-yl)methanone is CC12CN(C(=O)c3c[nH]c4ccccc34)CC(C)(CN(C(=O)c3c[nH]c4ccccc34)C1)C2O.
What is the InChIKey of [9-hydroxy-7-(1H-indole-3-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indol-3-yl)methanone?
The InChIKey is XDSMUWUCHCAHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-26-13-30(23(32)19-11-28-21-9-5-3-7-17(19)21)15-27(2,25(26)34)16-31(14-26)24(33)20-12-29-22-10-6-4-8-18(20)22/h3-12,25,28-29,34H,13-16H2,1-2H3.
What are the key properties of [9-hydroxy-7-(1H-indole-3-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indol-3-yl)methanone?
[9-hydroxy-7-(1H-indole-3-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indol-3-yl)methanone has a molecular weight of 456.55 g/mol, XLogP of 3.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-hydroxy-7-(1H-indole-3-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indol-3-yl)methanone is sourced from PubChem (CID 39378328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).