6-[[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

C19H22FN3O — CID 163306978

IUPAC6-[[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESFc1c(CN2CCCC2)cccc1OCc1ccc2c(n1)NCC2
InChIInChI=1S/C19H22FN3O/c20-18-15(12-23-10-1-2-11-23)4-3-5-17(18)24-13-16-7-6-14-8-9-21-19(14)22-16/h3-7H,1-2,8-13H2,(H,21,22)
InChIKeyRLFCBMVIYGNWGF-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.36
Rot. Bonds5

About 6-[[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

6-[[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 163306978) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 6-[[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-[[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID163306978
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name6-[[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESFc1c(CN2CCCC2)cccc1OCc1ccc2c(n1)NCC2
InChIInChI=1S/C19H22FN3O/c20-18-15(12-23-10-1-2-11-23)4-3-5-17(18)24-13-16-7-6-14-8-9-21-19(14)22-16/h3-7H,1-2,8-13H2,(H,21,22)
InChIKeyRLFCBMVIYGNWGF-UHFFFAOYSA-N
XLogP3.36
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

6-[(4-fluoro-2-methoxyphenoxy)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;formic acid
CID 171321976
2-fluoro-3-(pyrrolidin-1-ylmethyl)phenol
CID 68619301
3-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)phenyl]-1,3-oxazolidin-2-one
CID 163308470
6-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)-2-methyl-1,3-benzoxazole
CID 163318913
4-[[2-(piperidin-1-ylmethyl)phenoxy]methyl]pyridine
CID 167786530
1-[(2,3-difluorophenyl)methyl]azetidine
CID 126989798
7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277962
4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-indole
CID 115103996
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methyl-1,4-diazepane
CID 113453941
[2-fluoro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
CID 107113059
8-(azepan-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104102
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 83811098

Frequently Asked Questions

What is the IUPAC name of 6-[[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-[[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 163306978) is 6-[[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-[[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-[[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is Fc1c(CN2CCCC2)cccc1OCc1ccc2c(n1)NCC2.
What is the InChIKey of 6-[[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is RLFCBMVIYGNWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c20-18-15(12-23-10-1-2-11-23)4-3-5-17(18)24-13-16-7-6-14-8-9-21-19(14)22-16/h3-7H,1-2,8-13H2,(H,21,22).
What are the key properties of 6-[[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
6-[[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 327.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 163306978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).