3-(4-ethoxy-3-methylphenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine

C24H24FN3O — CID 141243114

IUPAC3-(4-ethoxy-3-methylphenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine
SMILESCCOc1ccc(C2(c3cccc(-c4cncc(F)c4)c3)C=C(N)NC2)cc1C
InChIInChI=1S/C24H24FN3O/c1-3-29-22-8-7-20(9-16(22)2)24(12-23(26)28-15-24)19-6-4-5-17(10-19)18-11-21(25)14-27-13-18/h4-14,28H,3,15,26H2,1-2H3
InChIKeyUJMBRWOXQZDECU-UHFFFAOYSA-N
MW389.47 g/mol
LogP4.28
Rot. Bonds5

About 3-(4-ethoxy-3-methylphenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine

3-(4-ethoxy-3-methylphenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine (PubChem CID 141243114) has the molecular formula C24H24FN3O and a molecular weight of 389.47 g/mol. Its IUPAC name is 3-(4-ethoxy-3-methylphenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine.

Molecular Properties

Compound Name3-(4-ethoxy-3-methylphenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine
PubChem CID141243114
Molecular FormulaC24H24FN3O
Molecular Weight389.47 g/mol
Exact Mass389.19
IUPAC Name3-(4-ethoxy-3-methylphenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine
SMILESCCOc1ccc(C2(c3cccc(-c4cncc(F)c4)c3)C=C(N)NC2)cc1C
InChIInChI=1S/C24H24FN3O/c1-3-29-22-8-7-20(9-16(22)2)24(12-23(26)28-15-24)19-6-4-5-17(10-19)18-11-21(25)14-27-13-18/h4-14,28H,3,15,26H2,1-2H3
InChIKeyUJMBRWOXQZDECU-UHFFFAOYSA-N
XLogP4.28
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-methylphenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine?
The IUPAC name of 3-(4-ethoxy-3-methylphenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine (CID 141243114) is 3-(4-ethoxy-3-methylphenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine.
What is the SMILES notation for 3-(4-ethoxy-3-methylphenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine?
The canonical SMILES for 3-(4-ethoxy-3-methylphenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine is CCOc1ccc(C2(c3cccc(-c4cncc(F)c4)c3)C=C(N)NC2)cc1C.
What is the InChIKey of 3-(4-ethoxy-3-methylphenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine?
The InChIKey is UJMBRWOXQZDECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O/c1-3-29-22-8-7-20(9-16(22)2)24(12-23(26)28-15-24)19-6-4-5-17(10-19)18-11-21(25)14-27-13-18/h4-14,28H,3,15,26H2,1-2H3.
What are the key properties of 3-(4-ethoxy-3-methylphenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine?
3-(4-ethoxy-3-methylphenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine has a molecular weight of 389.47 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3-methylphenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine is sourced from PubChem (CID 141243114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).