6-bromo-7-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole;ethane

C18H21BrClN3O — CID 170610110

IUPAC6-bromo-7-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole;ethane
SMILESCC.Clc1c(Br)ccc2c(-c3cnn(C4CCCCO4)c3)c[nH]c12
InChIInChI=1S/C16H15BrClN3O.C2H6/c17-13-5-4-11-12(8-19-16(11)15(13)18)10-7-20-21(9-10)14-3-1-2-6-22-14;1-2/h4-5,7-9,14,19H,1-3,6H2;1-2H3
InChIKeyLTICZPHREWUMSD-UHFFFAOYSA-N
MW410.74 g/mol
LogP6.17
Rot. Bonds2

About 6-bromo-7-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole;ethane

6-bromo-7-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole;ethane (PubChem CID 170610110) has the molecular formula C18H21BrClN3O and a molecular weight of 410.74 g/mol. Its IUPAC name is 6-bromo-7-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole;ethane.

Molecular Properties

Compound Name6-bromo-7-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole;ethane
PubChem CID170610110
Molecular FormulaC18H21BrClN3O
Molecular Weight410.74 g/mol
Exact Mass409.06
IUPAC Name6-bromo-7-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole;ethane
SMILESCC.Clc1c(Br)ccc2c(-c3cnn(C4CCCCO4)c3)c[nH]c12
InChIInChI=1S/C16H15BrClN3O.C2H6/c17-13-5-4-11-12(8-19-16(11)15(13)18)10-7-20-21(9-10)14-3-1-2-6-22-14;1-2/h4-5,7-9,14,19H,1-3,6H2;1-2H3
InChIKeyLTICZPHREWUMSD-UHFFFAOYSA-N
XLogP6.17
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.74
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-7-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole
CID 122561537
6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole-2-carboxylic acid
CID 170427452
4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole
CID 140928225
6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 165117179
ethyl 6,7-dichloro-3-[1-[(2R)-oxan-2-yl]pyrazol-4-yl]-1H-indole-2-carboxylate
CID 170426796
4-chloro-1-[(2S)-oxan-2-yl]pyrazole
CID 124506510
6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-2-(1H-1,2,4-triazol-5-yl)-1H-indole
CID 167136878
ethane;4-methyl-1-(oxan-2-yl)pyrazole
CID 145071415
1-(benzenesulfonyl)-6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indole
CID 170427028
4-chloro-3-methyl-10-[1-(oxan-2-yl)pyrazol-4-yl]-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one
CID 170610263
5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine
CID 126433846
5-[1-(oxan-2-yl)pyrazol-4-yl]-1H-pyrrolo[3,2-b]pyridine
CID 118676645

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole;ethane?
The IUPAC name of 6-bromo-7-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole;ethane (CID 170610110) is 6-bromo-7-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole;ethane.
What is the SMILES notation for 6-bromo-7-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole;ethane?
The canonical SMILES for 6-bromo-7-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole;ethane is CC.Clc1c(Br)ccc2c(-c3cnn(C4CCCCO4)c3)c[nH]c12.
What is the InChIKey of 6-bromo-7-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole;ethane?
The InChIKey is LTICZPHREWUMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3O.C2H6/c17-13-5-4-11-12(8-19-16(11)15(13)18)10-7-20-21(9-10)14-3-1-2-6-22-14;1-2/h4-5,7-9,14,19H,1-3,6H2;1-2H3.
What are the key properties of 6-bromo-7-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole;ethane?
6-bromo-7-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole;ethane has a molecular weight of 410.74 g/mol, XLogP of 6.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole;ethane is sourced from PubChem (CID 170610110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).