6-(7-bromo-9H-fluoren-2-yl)-3-ethyl-2-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine

C25H27BrN2 — CID 91506784

IUPAC6-(7-bromo-9H-fluoren-2-yl)-3-ethyl-2-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine
SMILESCCC1CC=C(c2ccc3c(c2)Cc2cc(Br)ccc2-3)N=C1C1CCCN1C
InChIInChI=1S/C25H27BrN2/c1-3-16-7-11-23(27-25(16)24-5-4-12-28(24)2)17-6-9-21-18(13-17)14-19-15-20(26)8-10-22(19)21/h6,8-11,13,15-16,24H,3-5,7,12,14H2,1-2H3
InChIKeyPLYOKJQTUUSJLY-UHFFFAOYSA-N
MW435.41 g/mol
LogP6.33
Rot. Bonds3

About 6-(7-bromo-9H-fluoren-2-yl)-3-ethyl-2-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine

6-(7-bromo-9H-fluoren-2-yl)-3-ethyl-2-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine (PubChem CID 91506784) has the molecular formula C25H27BrN2 and a molecular weight of 435.41 g/mol. Its IUPAC name is 6-(7-bromo-9H-fluoren-2-yl)-3-ethyl-2-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine.

Molecular Properties

Compound Name6-(7-bromo-9H-fluoren-2-yl)-3-ethyl-2-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine
PubChem CID91506784
Molecular FormulaC25H27BrN2
Molecular Weight435.41 g/mol
Exact Mass434.14
IUPAC Name6-(7-bromo-9H-fluoren-2-yl)-3-ethyl-2-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine
SMILESCCC1CC=C(c2ccc3c(c2)Cc2cc(Br)ccc2-3)N=C1C1CCCN1C
InChIInChI=1S/C25H27BrN2/c1-3-16-7-11-23(27-25(16)24-5-4-12-28(24)2)17-6-9-21-18(13-17)14-19-15-20(26)8-10-22(19)21/h6,8-11,13,15-16,24H,3-5,7,12,14H2,1-2H3
InChIKeyPLYOKJQTUUSJLY-UHFFFAOYSA-N
XLogP6.33
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.41
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(7-bromo-9H-fluoren-2-yl)-3-ethyl-2-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine 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

6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane
CID 148987903
16-Bromo-12,12-dimethyl-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,4,6,8,10,14(19),15,17-octaene
CID 123873591
7-Bromo-1-[(4-ethylcyclohexyl)methyl]-2-methylidene-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrole
CID 142370613

Frequently Asked Questions

What is the IUPAC name of 6-(7-bromo-9H-fluoren-2-yl)-3-ethyl-2-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine?
The IUPAC name of 6-(7-bromo-9H-fluoren-2-yl)-3-ethyl-2-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine (CID 91506784) is 6-(7-bromo-9H-fluoren-2-yl)-3-ethyl-2-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine.
What is the SMILES notation for 6-(7-bromo-9H-fluoren-2-yl)-3-ethyl-2-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine?
The canonical SMILES for 6-(7-bromo-9H-fluoren-2-yl)-3-ethyl-2-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine is CCC1CC=C(c2ccc3c(c2)Cc2cc(Br)ccc2-3)N=C1C1CCCN1C.
What is the InChIKey of 6-(7-bromo-9H-fluoren-2-yl)-3-ethyl-2-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine?
The InChIKey is PLYOKJQTUUSJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrN2/c1-3-16-7-11-23(27-25(16)24-5-4-12-28(24)2)17-6-9-21-18(13-17)14-19-15-20(26)8-10-22(19)21/h6,8-11,13,15-16,24H,3-5,7,12,14H2,1-2H3.
What are the key properties of 6-(7-bromo-9H-fluoren-2-yl)-3-ethyl-2-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine?
6-(7-bromo-9H-fluoren-2-yl)-3-ethyl-2-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine has a molecular weight of 435.41 g/mol, XLogP of 6.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-bromo-9H-fluoren-2-yl)-3-ethyl-2-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine is sourced from PubChem (CID 91506784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).