6,7-difluoro-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole

C14H16F2N2 — CID 166158171

IUPAC6,7-difluoro-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
SMILESCN1CCCC1Cc1c[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C14H16F2N2/c1-18-6-2-3-10(18)7-9-8-17-14-11(9)4-5-12(15)13(14)16/h4-5,8,10,17H,2-3,6-7H2,1H3
InChIKeyOCWPRMQLZGBBNV-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.08
Rot. Bonds2

About 6,7-difluoro-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole

6,7-difluoro-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole (PubChem CID 166158171) has the molecular formula C14H16F2N2 and a molecular weight of 250.29 g/mol. Its IUPAC name is 6,7-difluoro-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole.

Molecular Properties

Compound Name6,7-difluoro-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
PubChem CID166158171
Molecular FormulaC14H16F2N2
Molecular Weight250.29 g/mol
Exact Mass250.13
IUPAC Name6,7-difluoro-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
SMILESCN1CCCC1Cc1c[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C14H16F2N2/c1-18-6-2-3-10(18)7-9-8-17-14-11(9)4-5-12(15)13(14)16/h4-5,8,10,17H,2-3,6-7H2,1H3
InChIKeyOCWPRMQLZGBBNV-UHFFFAOYSA-N
XLogP3.08
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6,7-difluoro-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole 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

5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 54476619
3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58172476
5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 15521562
3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine
CID 59715791
5-ethenyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 10220397
5-chloro-2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]aniline
CID 171706539
N,N-dibenzyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-amine
CID 54377816
2-fluoro-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11749539
7-fluoro-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-1H-indole
CID 166158095
N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole-5-sulfonamide
CID 163863896
6,7-difluoro-3-[(2R)-2-methylpiperidin-1-yl]-1H-indole
CID 90824185
1-(2,4-dichlorophenyl)-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]ethanone
CID 23003786

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole?
The IUPAC name of 6,7-difluoro-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole (CID 166158171) is 6,7-difluoro-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole.
What is the SMILES notation for 6,7-difluoro-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole?
The canonical SMILES for 6,7-difluoro-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole is CN1CCCC1Cc1c[nH]c2c(F)c(F)ccc12.
What is the InChIKey of 6,7-difluoro-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole?
The InChIKey is OCWPRMQLZGBBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2/c1-18-6-2-3-10(18)7-9-8-17-14-11(9)4-5-12(15)13(14)16/h4-5,8,10,17H,2-3,6-7H2,1H3.
What are the key properties of 6,7-difluoro-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole?
6,7-difluoro-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole has a molecular weight of 250.29 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole is sourced from PubChem (CID 166158171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).