5-ethyl-2-fluoro-4-[6-[5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]phenol

C33H28F2N4O — CID 150603408

IUPAC5-ethyl-2-fluoro-4-[6-[5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]phenol
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(c1)C1=CC(c3nc4c([nH]3)CN(Cc3ccc(F)cc3)CC4)=CCC1=N2
InChIInChI=1S/C33H28F2N4O/c1-2-20-15-32(40)27(35)16-24(20)21-5-9-28-25(13-21)26-14-22(6-10-29(26)36-28)33-37-30-11-12-39(18-31(30)38-33)17-19-3-7-23(34)8-4-19/h3-9,13-16,40H,2,10-12,17-18H2,1H3,(H,37,38)
InChIKeyISJHCXJOCCNUSN-UHFFFAOYSA-N
MW534.61 g/mol
LogP7.14
Rot. Bonds5

About 5-ethyl-2-fluoro-4-[6-[5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]phenol

5-ethyl-2-fluoro-4-[6-[5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]phenol (PubChem CID 150603408) has the molecular formula C33H28F2N4O and a molecular weight of 534.61 g/mol. Its IUPAC name is 5-ethyl-2-fluoro-4-[6-[5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]phenol.

Molecular Properties

Compound Name5-ethyl-2-fluoro-4-[6-[5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]phenol
PubChem CID150603408
Molecular FormulaC33H28F2N4O
Molecular Weight534.61 g/mol
Exact Mass534.22
IUPAC Name5-ethyl-2-fluoro-4-[6-[5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]phenol
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(c1)C1=CC(c3nc4c([nH]3)CN(Cc3ccc(F)cc3)CC4)=CCC1=N2
InChIInChI=1S/C33H28F2N4O/c1-2-20-15-32(40)27(35)16-24(20)21-5-9-28-25(13-21)26-14-22(6-10-29(26)36-28)33-37-30-11-12-39(18-31(30)38-33)17-19-3-7-23(34)8-4-19/h3-9,13-16,40H,2,10-12,17-18H2,1H3,(H,37,38)
InChIKeyISJHCXJOCCNUSN-UHFFFAOYSA-N
XLogP7.14
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.61
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-2-fluoro-4-[6-[5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]phenol with MolForge

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Related Compounds

4-[3-(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
CID 137223928
US10100049, Example 12
CID 137528731
1-({[2-(1H-benzimidazol-2-yl)phenyl]imino}methyl)-2-naphthol
CID 1207297
5-ethyl-2-fluoro-4-[3-[5-[(4-hydroxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl]phenol
CID 91669302
5-ethyl-2-fluoro-4-[3-[5-[(3-hydroxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl]phenol
CID 91669303
4-[3-(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl]-2-fluoro-5-(2,2,2-trifluoroethyl)phenol
CID 91669310
2-[(R)-1H-benzimidazol-2-yl-[5-[4-(1-methylpiperidin-4-yl)phenyl]-1,3-dihydroisoindol-2-yl]methyl]-4-fluorophenol
CID 164883980
2-[1H-benzimidazol-2-yl-(5-fluoro-2-hydroxyphenyl)methyl]-6-[4-(1-methylpiperidin-4-yl)phenyl]-3H-isoindole-1-thione
CID 165180088
2-[(S)-1H-benzimidazol-2-yl-(5-fluoro-2-hydroxyphenyl)methyl]-6-[4-(1-methylpiperidin-4-yl)phenyl]-3H-isoindole-1-thione
CID 166509731
2-[(R)-1H-benzimidazol-2-yl-(5-fluoro-2-hydroxyphenyl)methyl]-6-[4-(1-methylpiperidin-4-yl)phenyl]-3H-isoindole-1-thione
CID 166509757
2-{[[(6-fluoro-1H-benzimidazol-2-yl)methyl](methyl)amino]methyl}-4-methylphenol
CID 50962600
2-[4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-N-(7-hydroxynaphthalen-1-yl)acetamide
CID 59875561

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-fluoro-4-[6-[5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]phenol?
The IUPAC name of 5-ethyl-2-fluoro-4-[6-[5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]phenol (CID 150603408) is 5-ethyl-2-fluoro-4-[6-[5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]phenol.
What is the SMILES notation for 5-ethyl-2-fluoro-4-[6-[5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]phenol?
The canonical SMILES for 5-ethyl-2-fluoro-4-[6-[5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]phenol is CCc1cc(O)c(F)cc1-c1ccc2c(c1)C1=CC(c3nc4c([nH]3)CN(Cc3ccc(F)cc3)CC4)=CCC1=N2.
What is the InChIKey of 5-ethyl-2-fluoro-4-[6-[5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]phenol?
The InChIKey is ISJHCXJOCCNUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28F2N4O/c1-2-20-15-32(40)27(35)16-24(20)21-5-9-28-25(13-21)26-14-22(6-10-29(26)36-28)33-37-30-11-12-39(18-31(30)38-33)17-19-3-7-23(34)8-4-19/h3-9,13-16,40H,2,10-12,17-18H2,1H3,(H,37,38).
What are the key properties of 5-ethyl-2-fluoro-4-[6-[5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]phenol?
5-ethyl-2-fluoro-4-[6-[5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]phenol has a molecular weight of 534.61 g/mol, XLogP of 7.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-fluoro-4-[6-[5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]phenol is sourced from PubChem (CID 150603408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).