[4-(2,7-dibromo-9H-fluoren-9-yl)piperazin-1-yl]-(1H-indol-5-yl)methanone

C26H21Br2N3O — CID 506176

IUPAC[4-(2,7-dibromo-9H-fluoren-9-yl)piperazin-1-yl]-(1H-indol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCN(C2c3cc(Br)ccc3-c3ccc(Br)cc32)CC1
InChIInChI=1S/C26H21Br2N3O/c27-18-2-4-20-21-5-3-19(28)15-23(21)25(22(20)14-18)30-9-11-31(12-10-30)26(32)17-1-6-24-16(13-17)7-8-29-24/h1-8,13-15,25,29H,9-12H2
InChIKeyFHYFUDRDZMIKQS-UHFFFAOYSA-N
MW551.28 g/mol
LogP6.22
Rot. Bonds2

About [4-(2,7-dibromo-9H-fluoren-9-yl)piperazin-1-yl]-(1H-indol-5-yl)methanone

[4-(2,7-dibromo-9H-fluoren-9-yl)piperazin-1-yl]-(1H-indol-5-yl)methanone (PubChem CID 506176) has the molecular formula C26H21Br2N3O and a molecular weight of 551.28 g/mol. Its IUPAC name is [4-(2,7-dibromo-9H-fluoren-9-yl)piperazin-1-yl]-(1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2,7-dibromo-9H-fluoren-9-yl)piperazin-1-yl]-(1H-indol-5-yl)methanone
PubChem CID506176
Molecular FormulaC26H21Br2N3O
Molecular Weight551.28 g/mol
Exact Mass549.01
IUPAC Name[4-(2,7-dibromo-9H-fluoren-9-yl)piperazin-1-yl]-(1H-indol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCN(C2c3cc(Br)ccc3-c3ccc(Br)cc32)CC1
InChIInChI=1S/C26H21Br2N3O/c27-18-2-4-20-21-5-3-19(28)15-23(21)25(22(20)14-18)30-9-11-31(12-10-30)26(32)17-1-6-24-16(13-17)7-8-29-24/h1-8,13-15,25,29H,9-12H2
InChIKeyFHYFUDRDZMIKQS-UHFFFAOYSA-N
XLogP6.22
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.28
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Genz-10850
CID 447767
3-[4-(4-Phenyl-piperazin-1-yl)-butyl]-1H-indole-5-carboxylic acid amide
CID 11303411
N-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-2-(5-bromo-1H-indol-3-yl)-acetamide
CID 11539744
1H-indol-5-yl-[4-(2-nitro-9H-fluoren-9-yl)piperazin-1-yl]methanone
CID 470217
1H-indol-5-yl-[4-(3-nitro-9H-fluoren-9-yl)piperazin-1-yl]methanone
CID 470218
N-cyclohexyl-2-(3,5-dimethylphenyl)-N-ethyl-3-[2-(4-pyridin-4-ylbutylamino)ethyl]-1H-indole-5-carboxamide
CID 44293335
N-cyclohexyl-2-(3,5-dimethylphenyl)-N-ethyl-3-[2-(4-pyridin-3-ylbutylamino)ethyl]-1H-indole-5-carboxamide
CID 44293348
N-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]butanamide
CID 506178
N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-4-carboxamide
CID 11245659
N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-2-carboxamide
CID 11394601
5-bromo-2-fluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]benzamide
CID 72704299
4-bromo-2-fluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]benzamide
CID 72704300

Frequently Asked Questions

What is the IUPAC name of [4-(2,7-dibromo-9H-fluoren-9-yl)piperazin-1-yl]-(1H-indol-5-yl)methanone?
The IUPAC name of [4-(2,7-dibromo-9H-fluoren-9-yl)piperazin-1-yl]-(1H-indol-5-yl)methanone (CID 506176) is [4-(2,7-dibromo-9H-fluoren-9-yl)piperazin-1-yl]-(1H-indol-5-yl)methanone.
What is the SMILES notation for [4-(2,7-dibromo-9H-fluoren-9-yl)piperazin-1-yl]-(1H-indol-5-yl)methanone?
The canonical SMILES for [4-(2,7-dibromo-9H-fluoren-9-yl)piperazin-1-yl]-(1H-indol-5-yl)methanone is O=C(c1ccc2[nH]ccc2c1)N1CCN(C2c3cc(Br)ccc3-c3ccc(Br)cc32)CC1.
What is the InChIKey of [4-(2,7-dibromo-9H-fluoren-9-yl)piperazin-1-yl]-(1H-indol-5-yl)methanone?
The InChIKey is FHYFUDRDZMIKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Br2N3O/c27-18-2-4-20-21-5-3-19(28)15-23(21)25(22(20)14-18)30-9-11-31(12-10-30)26(32)17-1-6-24-16(13-17)7-8-29-24/h1-8,13-15,25,29H,9-12H2.
What are the key properties of [4-(2,7-dibromo-9H-fluoren-9-yl)piperazin-1-yl]-(1H-indol-5-yl)methanone?
[4-(2,7-dibromo-9H-fluoren-9-yl)piperazin-1-yl]-(1H-indol-5-yl)methanone has a molecular weight of 551.28 g/mol, XLogP of 6.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,7-dibromo-9H-fluoren-9-yl)piperazin-1-yl]-(1H-indol-5-yl)methanone is sourced from PubChem (CID 506176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).