5-fluoro-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide

C24H23F2N3O3 — CID 122653435

IUPAC5-fluoro-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
SMILESCOc1ccc(Cc2ccnc(N3CCc4c3ccc(F)c4C(=O)NCCO)c2)cc1F
InChIInChI=1S/C24H23F2N3O3/c1-32-21-5-2-15(13-19(21)26)12-16-6-8-27-22(14-16)29-10-7-17-20(29)4-3-18(25)23(17)24(31)28-9-11-30/h2-6,8,13-14,30H,7,9-12H2,1H3,(H,28,31)
InChIKeyGJXBRIHJYWKJEG-UHFFFAOYSA-N
MW439.46 g/mol
LogP3.38
Rot. Bonds7

About 5-fluoro-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide

5-fluoro-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide (PubChem CID 122653435) has the molecular formula C24H23F2N3O3 and a molecular weight of 439.46 g/mol. Its IUPAC name is 5-fluoro-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
PubChem CID122653435
Molecular FormulaC24H23F2N3O3
Molecular Weight439.46 g/mol
Exact Mass439.17
IUPAC Name5-fluoro-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
SMILESCOc1ccc(Cc2ccnc(N3CCc4c3ccc(F)c4C(=O)NCCO)c2)cc1F
InChIInChI=1S/C24H23F2N3O3/c1-32-21-5-2-15(13-19(21)26)12-16-6-8-27-22(14-16)29-10-7-17-20(29)4-3-18(25)23(17)24(31)28-9-11-30/h2-6,8,13-14,30H,7,9-12H2,1H3,(H,28,31)
InChIKeyGJXBRIHJYWKJEG-UHFFFAOYSA-N
XLogP3.38
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide 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 5-fluoro-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 5-fluoro-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide (CID 122653435) is 5-fluoro-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 5-fluoro-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 5-fluoro-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide is COc1ccc(Cc2ccnc(N3CCc4c3ccc(F)c4C(=O)NCCO)c2)cc1F.
What is the InChIKey of 5-fluoro-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The InChIKey is GJXBRIHJYWKJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O3/c1-32-21-5-2-15(13-19(21)26)12-16-6-8-27-22(14-16)29-10-7-17-20(29)4-3-18(25)23(17)24(31)28-9-11-30/h2-6,8,13-14,30H,7,9-12H2,1H3,(H,28,31).
What are the key properties of 5-fluoro-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
5-fluoro-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide has a molecular weight of 439.46 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 122653435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).