1-[(3-fluoro-4-pyridinyl)-propylamino]-3-methylindol-5-ol

C17H18FN3O — CID 19072373

IUPAC1-[(3-fluoro-4-pyridinyl)-propylamino]-3-methylindol-5-ol
SMILESCCCN(c1ccncc1F)n1cc(C)c2cc(O)ccc21
InChIInChI=1S/C17H18FN3O/c1-3-8-20(17-6-7-19-10-15(17)18)21-11-12(2)14-9-13(22)4-5-16(14)21/h4-7,9-11,22H,3,8H2,1-2H3
InChIKeyAKIFSCRVEZSWSL-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.87
Rot. Bonds4

About 1-[(3-fluoro-4-pyridinyl)-propylamino]-3-methylindol-5-ol

1-[(3-fluoro-4-pyridinyl)-propylamino]-3-methylindol-5-ol (PubChem CID 19072373) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-[(3-fluoro-4-pyridinyl)-propylamino]-3-methylindol-5-ol.

Molecular Properties

Compound Name1-[(3-fluoro-4-pyridinyl)-propylamino]-3-methylindol-5-ol
PubChem CID19072373
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name1-[(3-fluoro-4-pyridinyl)-propylamino]-3-methylindol-5-ol
SMILESCCCN(c1ccncc1F)n1cc(C)c2cc(O)ccc21
InChIInChI=1S/C17H18FN3O/c1-3-8-20(17-6-7-19-10-15(17)18)21-11-12(2)14-9-13(22)4-5-16(14)21/h4-7,9-11,22H,3,8H2,1-2H3
InChIKeyAKIFSCRVEZSWSL-UHFFFAOYSA-N
XLogP3.87
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3-fluoro-4-pyridinyl)-propylamino]-3-methylindol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-pyridinyl)-propylamino]-3-methylindol-5-ol?
The IUPAC name of 1-[(3-fluoro-4-pyridinyl)-propylamino]-3-methylindol-5-ol (CID 19072373) is 1-[(3-fluoro-4-pyridinyl)-propylamino]-3-methylindol-5-ol.
What is the SMILES notation for 1-[(3-fluoro-4-pyridinyl)-propylamino]-3-methylindol-5-ol?
The canonical SMILES for 1-[(3-fluoro-4-pyridinyl)-propylamino]-3-methylindol-5-ol is CCCN(c1ccncc1F)n1cc(C)c2cc(O)ccc21.
What is the InChIKey of 1-[(3-fluoro-4-pyridinyl)-propylamino]-3-methylindol-5-ol?
The InChIKey is AKIFSCRVEZSWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-3-8-20(17-6-7-19-10-15(17)18)21-11-12(2)14-9-13(22)4-5-16(14)21/h4-7,9-11,22H,3,8H2,1-2H3.
What are the key properties of 1-[(3-fluoro-4-pyridinyl)-propylamino]-3-methylindol-5-ol?
1-[(3-fluoro-4-pyridinyl)-propylamino]-3-methylindol-5-ol has a molecular weight of 299.35 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-pyridinyl)-propylamino]-3-methylindol-5-ol is sourced from PubChem (CID 19072373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).