3-(3-fluoro-4-methoxyphenyl)-7-N-(2-imidazol-1-ylethyl)-9H-carbazole-1,7-dicarboxamide

C26H22FN5O3 — CID 66605496

IUPAC3-(3-fluoro-4-methoxyphenyl)-7-N-(2-imidazol-1-ylethyl)-9H-carbazole-1,7-dicarboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)NCCn5ccnc5)ccc4c3c2)cc1F
InChIInChI=1S/C26H22FN5O3/c1-35-23-5-3-15(12-21(23)27)17-10-19-18-4-2-16(26(34)30-7-9-32-8-6-29-14-32)13-22(18)31-24(19)20(11-17)25(28)33/h2-6,8,10-14,31H,7,9H2,1H3,(H2,28,33)(H,30,34)
InChIKeyOWCVZGMXEDSMCG-UHFFFAOYSA-N
MW471.49 g/mol
LogP3.86
Rot. Bonds7

About 3-(3-fluoro-4-methoxyphenyl)-7-N-(2-imidazol-1-ylethyl)-9H-carbazole-1,7-dicarboxamide

3-(3-fluoro-4-methoxyphenyl)-7-N-(2-imidazol-1-ylethyl)-9H-carbazole-1,7-dicarboxamide (PubChem CID 66605496) has the molecular formula C26H22FN5O3 and a molecular weight of 471.49 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-7-N-(2-imidazol-1-ylethyl)-9H-carbazole-1,7-dicarboxamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-7-N-(2-imidazol-1-ylethyl)-9H-carbazole-1,7-dicarboxamide
PubChem CID66605496
Molecular FormulaC26H22FN5O3
Molecular Weight471.49 g/mol
Exact Mass471.17
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-7-N-(2-imidazol-1-ylethyl)-9H-carbazole-1,7-dicarboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)NCCn5ccnc5)ccc4c3c2)cc1F
InChIInChI=1S/C26H22FN5O3/c1-35-23-5-3-15(12-21(23)27)17-10-19-18-4-2-16(26(34)30-7-9-32-8-6-29-14-32)13-22(18)31-24(19)20(11-17)25(28)33/h2-6,8,10-14,31H,7,9H2,1H3,(H2,28,33)(H,30,34)
InChIKeyOWCVZGMXEDSMCG-UHFFFAOYSA-N
XLogP3.86
TPSA115.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-7-N-(2-imidazol-1-ylethyl)-9H-carbazole-1,7-dicarboxamide?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-7-N-(2-imidazol-1-ylethyl)-9H-carbazole-1,7-dicarboxamide (CID 66605496) is 3-(3-fluoro-4-methoxyphenyl)-7-N-(2-imidazol-1-ylethyl)-9H-carbazole-1,7-dicarboxamide.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-7-N-(2-imidazol-1-ylethyl)-9H-carbazole-1,7-dicarboxamide?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-7-N-(2-imidazol-1-ylethyl)-9H-carbazole-1,7-dicarboxamide is COc1ccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)NCCn5ccnc5)ccc4c3c2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-7-N-(2-imidazol-1-ylethyl)-9H-carbazole-1,7-dicarboxamide?
The InChIKey is OWCVZGMXEDSMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O3/c1-35-23-5-3-15(12-21(23)27)17-10-19-18-4-2-16(26(34)30-7-9-32-8-6-29-14-32)13-22(18)31-24(19)20(11-17)25(28)33/h2-6,8,10-14,31H,7,9H2,1H3,(H2,28,33)(H,30,34).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-7-N-(2-imidazol-1-ylethyl)-9H-carbazole-1,7-dicarboxamide?
3-(3-fluoro-4-methoxyphenyl)-7-N-(2-imidazol-1-ylethyl)-9H-carbazole-1,7-dicarboxamide has a molecular weight of 471.49 g/mol, XLogP of 3.86, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-7-N-(2-imidazol-1-ylethyl)-9H-carbazole-1,7-dicarboxamide is sourced from PubChem (CID 66605496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).