3-(3-fluoro-4-methoxyphenyl)-7-(4-imidazol-1-ylbutanoyl)-9H-carbazole-1-carboxamide

C27H23FN4O3 — CID 160563922

IUPAC3-(3-fluoro-4-methoxyphenyl)-7-(4-imidazol-1-ylbutanoyl)-9H-carbazole-1-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)CCCn5ccnc5)ccc4c3c2)cc1F
InChIInChI=1S/C27H23FN4O3/c1-35-25-7-5-16(13-22(25)28)18-11-20-19-6-4-17(24(33)3-2-9-32-10-8-30-15-32)14-23(19)31-26(20)21(12-18)27(29)34/h4-8,10-15,31H,2-3,9H2,1H3,(H2,29,34)
InChIKeyQZRGMUWXKRXBEH-UHFFFAOYSA-N
MW470.50 g/mol
LogP5.09
Rot. Bonds8

About 3-(3-fluoro-4-methoxyphenyl)-7-(4-imidazol-1-ylbutanoyl)-9H-carbazole-1-carboxamide

3-(3-fluoro-4-methoxyphenyl)-7-(4-imidazol-1-ylbutanoyl)-9H-carbazole-1-carboxamide (PubChem CID 160563922) has the molecular formula C27H23FN4O3 and a molecular weight of 470.50 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-7-(4-imidazol-1-ylbutanoyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-7-(4-imidazol-1-ylbutanoyl)-9H-carbazole-1-carboxamide
PubChem CID160563922
Molecular FormulaC27H23FN4O3
Molecular Weight470.50 g/mol
Exact Mass470.18
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-7-(4-imidazol-1-ylbutanoyl)-9H-carbazole-1-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)CCCn5ccnc5)ccc4c3c2)cc1F
InChIInChI=1S/C27H23FN4O3/c1-35-25-7-5-16(13-22(25)28)18-11-20-19-6-4-17(24(33)3-2-9-32-10-8-30-15-32)14-23(19)31-26(20)21(12-18)27(29)34/h4-8,10-15,31H,2-3,9H2,1H3,(H2,29,34)
InChIKeyQZRGMUWXKRXBEH-UHFFFAOYSA-N
XLogP5.09
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.50
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(3-fluoro-4-methoxyphenyl)-7-(4-imidazol-1-ylbutanoyl)-9H-carbazole-1-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 3-(3-fluoro-4-methoxyphenyl)-7-(4-imidazol-1-ylbutanoyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-7-(4-imidazol-1-ylbutanoyl)-9H-carbazole-1-carboxamide (CID 160563922) is 3-(3-fluoro-4-methoxyphenyl)-7-(4-imidazol-1-ylbutanoyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-7-(4-imidazol-1-ylbutanoyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-7-(4-imidazol-1-ylbutanoyl)-9H-carbazole-1-carboxamide is COc1ccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)CCCn5ccnc5)ccc4c3c2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-7-(4-imidazol-1-ylbutanoyl)-9H-carbazole-1-carboxamide?
The InChIKey is QZRGMUWXKRXBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O3/c1-35-25-7-5-16(13-22(25)28)18-11-20-19-6-4-17(24(33)3-2-9-32-10-8-30-15-32)14-23(19)31-26(20)21(12-18)27(29)34/h4-8,10-15,31H,2-3,9H2,1H3,(H2,29,34).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-7-(4-imidazol-1-ylbutanoyl)-9H-carbazole-1-carboxamide?
3-(3-fluoro-4-methoxyphenyl)-7-(4-imidazol-1-ylbutanoyl)-9H-carbazole-1-carboxamide has a molecular weight of 470.50 g/mol, XLogP of 5.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-7-(4-imidazol-1-ylbutanoyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 160563922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).