1-[5-bromo-3-[2-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone

C25H25BrClN3O — CID 18545867

IUPAC1-[5-bromo-3-[2-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CC(CCN2CC=C(c3c[nH]c4cc(Cl)ccc34)CC2)c2cc(Br)ccc21
InChIInChI=1S/C25H25BrClN3O/c1-16(31)30-15-18(22-12-19(26)2-5-25(22)30)8-11-29-9-6-17(7-10-29)23-14-28-24-13-20(27)3-4-21(23)24/h2-6,12-14,18,28H,7-11,15H2,1H3
InChIKeyMRFWDEQMIAMIDT-UHFFFAOYSA-N
MW498.85 g/mol
LogP6.21
Rot. Bonds4

About 1-[5-bromo-3-[2-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone

1-[5-bromo-3-[2-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 18545867) has the molecular formula C25H25BrClN3O and a molecular weight of 498.85 g/mol. Its IUPAC name is 1-[5-bromo-3-[2-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-bromo-3-[2-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID18545867
Molecular FormulaC25H25BrClN3O
Molecular Weight498.85 g/mol
Exact Mass497.09
IUPAC Name1-[5-bromo-3-[2-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CC(CCN2CC=C(c3c[nH]c4cc(Cl)ccc34)CC2)c2cc(Br)ccc21
InChIInChI=1S/C25H25BrClN3O/c1-16(31)30-15-18(22-12-19(26)2-5-25(22)30)8-11-29-9-6-17(7-10-29)23-14-28-24-13-20(27)3-4-21(23)24/h2-6,12-14,18,28H,7-11,15H2,1H3
InChIKeyMRFWDEQMIAMIDT-UHFFFAOYSA-N
XLogP6.21
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.85
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-bromo-3-[2-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone with MolForge

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Related Compounds

1-[3-[4-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-2,3-dihydroindol-1-yl]ethanone
CID 18545791
1-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
CID 113087076
2-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 44535079
[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-methylphenyl)methanone
CID 113087088
6-chloro-3-[1-[2-(1H-indol-4-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 21268183
6-chloro-3-[1-[(5-propan-2-yloxy-2,3-dihydro-1H-inden-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 56999371
[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-fluorophenyl)methanone
CID 113087091
2-(5-amino-2-methylphenyl)-1-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 22714419
6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 3055742
(3-bromophenyl)-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 84558955
5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;ethane
CID 143668199
1-[4-(5-bromo-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one
CID 84560865

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-3-[2-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-bromo-3-[2-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone (CID 18545867) is 1-[5-bromo-3-[2-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-bromo-3-[2-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-bromo-3-[2-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CC(CCN2CC=C(c3c[nH]c4cc(Cl)ccc34)CC2)c2cc(Br)ccc21.
What is the InChIKey of 1-[5-bromo-3-[2-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is MRFWDEQMIAMIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrClN3O/c1-16(31)30-15-18(22-12-19(26)2-5-25(22)30)8-11-29-9-6-17(7-10-29)23-14-28-24-13-20(27)3-4-21(23)24/h2-6,12-14,18,28H,7-11,15H2,1H3.
What are the key properties of 1-[5-bromo-3-[2-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone?
1-[5-bromo-3-[2-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 498.85 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-3-[2-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 18545867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).