3-(6-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine

C15H18FN3S — CID 137442779

IUPAC3-(6-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNCCC(c1cccs1)N1CCc2ncc(F)cc21
InChIInChI=1S/C15H18FN3S/c1-17-6-4-13(15-3-2-8-20-15)19-7-5-12-14(19)9-11(16)10-18-12/h2-3,8-10,13,17H,4-7H2,1H3
InChIKeyLOOVAOLREGHQIW-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.00
Rot. Bonds5

About 3-(6-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine

3-(6-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 137442779) has the molecular formula C15H18FN3S and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-(6-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(6-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
PubChem CID137442779
Molecular FormulaC15H18FN3S
Molecular Weight291.39 g/mol
Exact Mass291.12
IUPAC Name3-(6-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNCCC(c1cccs1)N1CCc2ncc(F)cc21
InChIInChI=1S/C15H18FN3S/c1-17-6-4-13(15-3-2-8-20-15)19-7-5-12-14(19)9-11(16)10-18-12/h2-3,8-10,13,17H,4-7H2,1H3
InChIKeyLOOVAOLREGHQIW-UHFFFAOYSA-N
XLogP3.00
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 3-(6-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine (CID 137442779) is 3-(6-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 3-(6-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 3-(6-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine is CNCCC(c1cccs1)N1CCc2ncc(F)cc21.
What is the InChIKey of 3-(6-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is LOOVAOLREGHQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3S/c1-17-6-4-13(15-3-2-8-20-15)19-7-5-12-14(19)9-11(16)10-18-12/h2-3,8-10,13,17H,4-7H2,1H3.
What are the key properties of 3-(6-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
3-(6-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 291.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 137442779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).