7-fluoro-3-[2-(methylamino)ethyl]-1-(pyridin-2-ylmethyl)indol-4-ol

C17H18FN3O — CID 70791874

IUPAC7-fluoro-3-[2-(methylamino)ethyl]-1-(pyridin-2-ylmethyl)indol-4-ol
SMILESCNCCc1cn(Cc2ccccn2)c2c(F)ccc(O)c12
InChIInChI=1S/C17H18FN3O/c1-19-9-7-12-10-21(11-13-4-2-3-8-20-13)17-14(18)5-6-15(22)16(12)17/h2-6,8,10,19,22H,7,9,11H2,1H3
InChIKeyAMFULNNROAODOC-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.69
Rot. Bonds5

About 7-fluoro-3-[2-(methylamino)ethyl]-1-(pyridin-2-ylmethyl)indol-4-ol

7-fluoro-3-[2-(methylamino)ethyl]-1-(pyridin-2-ylmethyl)indol-4-ol (PubChem CID 70791874) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 7-fluoro-3-[2-(methylamino)ethyl]-1-(pyridin-2-ylmethyl)indol-4-ol.

Molecular Properties

Compound Name7-fluoro-3-[2-(methylamino)ethyl]-1-(pyridin-2-ylmethyl)indol-4-ol
PubChem CID70791874
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name7-fluoro-3-[2-(methylamino)ethyl]-1-(pyridin-2-ylmethyl)indol-4-ol
SMILESCNCCc1cn(Cc2ccccn2)c2c(F)ccc(O)c12
InChIInChI=1S/C17H18FN3O/c1-19-9-7-12-10-21(11-13-4-2-3-8-20-13)17-14(18)5-6-15(22)16(12)17/h2-6,8,10,19,22H,7,9,11H2,1H3
InChIKeyAMFULNNROAODOC-UHFFFAOYSA-N
XLogP2.69
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[2-(methylamino)ethyl]-1-(pyridin-2-ylmethyl)indol-4-ol?
The IUPAC name of 7-fluoro-3-[2-(methylamino)ethyl]-1-(pyridin-2-ylmethyl)indol-4-ol (CID 70791874) is 7-fluoro-3-[2-(methylamino)ethyl]-1-(pyridin-2-ylmethyl)indol-4-ol.
What is the SMILES notation for 7-fluoro-3-[2-(methylamino)ethyl]-1-(pyridin-2-ylmethyl)indol-4-ol?
The canonical SMILES for 7-fluoro-3-[2-(methylamino)ethyl]-1-(pyridin-2-ylmethyl)indol-4-ol is CNCCc1cn(Cc2ccccn2)c2c(F)ccc(O)c12.
What is the InChIKey of 7-fluoro-3-[2-(methylamino)ethyl]-1-(pyridin-2-ylmethyl)indol-4-ol?
The InChIKey is AMFULNNROAODOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-19-9-7-12-10-21(11-13-4-2-3-8-20-13)17-14(18)5-6-15(22)16(12)17/h2-6,8,10,19,22H,7,9,11H2,1H3.
What are the key properties of 7-fluoro-3-[2-(methylamino)ethyl]-1-(pyridin-2-ylmethyl)indol-4-ol?
7-fluoro-3-[2-(methylamino)ethyl]-1-(pyridin-2-ylmethyl)indol-4-ol has a molecular weight of 299.35 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[2-(methylamino)ethyl]-1-(pyridin-2-ylmethyl)indol-4-ol is sourced from PubChem (CID 70791874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).