2-[3-bromo-1-[(3-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride

C24H22BrClFN3 — CID 67142075

IUPAC2-[3-bromo-1-[(3-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCc1c(Br)c2ccnc(N3CCc4ccccc4C3)c2n1Cc1cccc(F)c1.Cl
InChIInChI=1S/C24H21BrFN3.ClH/c1-16-22(25)21-9-11-27-24(28-12-10-18-6-2-3-7-19(18)15-28)23(21)29(16)14-17-5-4-8-20(26)13-17;/h2-9,11,13H,10,12,14-15H2,1H3;1H
InChIKeyOUXWBSQEASBYBI-UHFFFAOYSA-N
MW486.82 g/mol
LogP6.28
Rot. Bonds3

About 2-[3-bromo-1-[(3-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride

2-[3-bromo-1-[(3-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride (PubChem CID 67142075) has the molecular formula C24H22BrClFN3 and a molecular weight of 486.82 g/mol. Its IUPAC name is 2-[3-bromo-1-[(3-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name2-[3-bromo-1-[(3-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride
PubChem CID67142075
Molecular FormulaC24H22BrClFN3
Molecular Weight486.82 g/mol
Exact Mass485.07
IUPAC Name2-[3-bromo-1-[(3-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCc1c(Br)c2ccnc(N3CCc4ccccc4C3)c2n1Cc1cccc(F)c1.Cl
InChIInChI=1S/C24H21BrFN3.ClH/c1-16-22(25)21-9-11-27-24(28-12-10-18-6-2-3-7-19(18)15-28)23(21)29(16)14-17-5-4-8-20(26)13-17;/h2-9,11,13H,10,12,14-15H2,1H3;1H
InChIKeyOUXWBSQEASBYBI-UHFFFAOYSA-N
XLogP6.28
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.82
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-bromo-1-[(3-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-1-[(3-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride?
The IUPAC name of 2-[3-bromo-1-[(3-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride (CID 67142075) is 2-[3-bromo-1-[(3-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride.
What is the SMILES notation for 2-[3-bromo-1-[(3-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride?
The canonical SMILES for 2-[3-bromo-1-[(3-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride is Cc1c(Br)c2ccnc(N3CCc4ccccc4C3)c2n1Cc1cccc(F)c1.Cl.
What is the InChIKey of 2-[3-bromo-1-[(3-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride?
The InChIKey is OUXWBSQEASBYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrFN3.ClH/c1-16-22(25)21-9-11-27-24(28-12-10-18-6-2-3-7-19(18)15-28)23(21)29(16)14-17-5-4-8-20(26)13-17;/h2-9,11,13H,10,12,14-15H2,1H3;1H.
What are the key properties of 2-[3-bromo-1-[(3-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride?
2-[3-bromo-1-[(3-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride has a molecular weight of 486.82 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-1-[(3-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride is sourced from PubChem (CID 67142075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).