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

C33H29FN4O2 — CID 150977600

IUPAC5-ethyl-2-fluoro-4-[6-[5-[(3-hydroxyphenyl)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(Cc3cccc(O)c3)CC4)=CCC1=N2
InChIInChI=1S/C33H29FN4O2/c1-2-20-15-32(40)27(34)16-24(20)21-6-8-28-25(13-21)26-14-22(7-9-29(26)35-28)33-36-30-10-11-38(18-31(30)37-33)17-19-4-3-5-23(39)12-19/h3-8,12-16,39-40H,2,9-11,17-18H2,1H3,(H,36,37)
InChIKeyLPKNVAXHORKEET-UHFFFAOYSA-N
MW532.62 g/mol
LogP6.70
Rot. Bonds5

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

5-ethyl-2-fluoro-4-[6-[5-[(3-hydroxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]phenol (PubChem CID 150977600) has the molecular formula C33H29FN4O2 and a molecular weight of 532.62 g/mol. Its IUPAC name is 5-ethyl-2-fluoro-4-[6-[5-[(3-hydroxyphenyl)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-[(3-hydroxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]phenol
PubChem CID150977600
Molecular FormulaC33H29FN4O2
Molecular Weight532.62 g/mol
Exact Mass532.23
IUPAC Name5-ethyl-2-fluoro-4-[6-[5-[(3-hydroxyphenyl)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(Cc3cccc(O)c3)CC4)=CCC1=N2
InChIInChI=1S/C33H29FN4O2/c1-2-20-15-32(40)27(34)16-24(20)21-6-8-28-25(13-21)26-14-22(7-9-29(26)35-28)33-36-30-10-11-38(18-31(30)37-33)17-19-4-3-5-23(39)12-19/h3-8,12-16,39-40H,2,9-11,17-18H2,1H3,(H,36,37)
InChIKeyLPKNVAXHORKEET-UHFFFAOYSA-N
XLogP6.70
TPSA84.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.62
LogP ≤ 56.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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
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-[4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-N-(7-hydroxynaphthalen-1-yl)acetamide
CID 59875561
7-(4-fluoro-6-pyridin-4-yl-1H-benzimidazol-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 68396924
2'-Fluoro-5'-[2-isopropyl-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl]-1,1'-biphenyl-4-ol
CID 69350687

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-fluoro-4-[6-[5-[(3-hydroxyphenyl)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-[(3-hydroxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]phenol (CID 150977600) is 5-ethyl-2-fluoro-4-[6-[5-[(3-hydroxyphenyl)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-[(3-hydroxyphenyl)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-[(3-hydroxyphenyl)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(Cc3cccc(O)c3)CC4)=CCC1=N2.
What is the InChIKey of 5-ethyl-2-fluoro-4-[6-[5-[(3-hydroxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]phenol?
The InChIKey is LPKNVAXHORKEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29FN4O2/c1-2-20-15-32(40)27(34)16-24(20)21-6-8-28-25(13-21)26-14-22(7-9-29(26)35-28)33-36-30-10-11-38(18-31(30)37-33)17-19-4-3-5-23(39)12-19/h3-8,12-16,39-40H,2,9-11,17-18H2,1H3,(H,36,37).
What are the key properties of 5-ethyl-2-fluoro-4-[6-[5-[(3-hydroxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]phenol?
5-ethyl-2-fluoro-4-[6-[5-[(3-hydroxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]phenol has a molecular weight of 532.62 g/mol, XLogP of 6.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-fluoro-4-[6-[5-[(3-hydroxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]phenol is sourced from PubChem (CID 150977600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).