2-fluoro-4-[6-[5-(quinolin-3-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]-5-(2,2,2-trifluoroethyl)phenol

C36H27F4N5O — CID 151326178

IUPAC2-fluoro-4-[6-[5-(quinolin-3-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]-5-(2,2,2-trifluoroethyl)phenol
SMILESOc1cc(CC(F)(F)F)c(-c2ccc3c(c2)C2=CC(c4nc5c([nH]4)CN(Cc4cnc6ccccc6c4)CC5)=CCC2=N3)cc1F
InChIInChI=1S/C36H27F4N5O/c37-28-15-25(24(14-34(28)46)16-36(38,39)40)21-5-7-30-26(12-21)27-13-23(6-8-31(27)42-30)35-43-32-9-10-45(19-33(32)44-35)18-20-11-22-3-1-2-4-29(22)41-17-20/h1-7,11-15,17,46H,8-10,16,18-19H2,(H,43,44)
InChIKeyOHMJCHKADZSINU-UHFFFAOYSA-N
MW621.64 g/mol
LogP8.09
Rot. Bonds5

About 2-fluoro-4-[6-[5-(quinolin-3-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]-5-(2,2,2-trifluoroethyl)phenol

2-fluoro-4-[6-[5-(quinolin-3-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]-5-(2,2,2-trifluoroethyl)phenol (PubChem CID 151326178) has the molecular formula C36H27F4N5O and a molecular weight of 621.64 g/mol. Its IUPAC name is 2-fluoro-4-[6-[5-(quinolin-3-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]-5-(2,2,2-trifluoroethyl)phenol.

Molecular Properties

Compound Name2-fluoro-4-[6-[5-(quinolin-3-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]-5-(2,2,2-trifluoroethyl)phenol
PubChem CID151326178
Molecular FormulaC36H27F4N5O
Molecular Weight621.64 g/mol
Exact Mass621.22
IUPAC Name2-fluoro-4-[6-[5-(quinolin-3-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]-5-(2,2,2-trifluoroethyl)phenol
SMILESOc1cc(CC(F)(F)F)c(-c2ccc3c(c2)C2=CC(c4nc5c([nH]4)CN(Cc4cnc6ccccc6c4)CC5)=CCC2=N3)cc1F
InChIInChI=1S/C36H27F4N5O/c37-28-15-25(24(14-34(28)46)16-36(38,39)40)21-5-7-30-26(12-21)27-13-23(6-8-31(27)42-30)35-43-32-9-10-45(19-33(32)44-35)18-20-11-22-3-1-2-4-29(22)41-17-20/h1-7,11-15,17,46H,8-10,16,18-19H2,(H,43,44)
InChIKeyOHMJCHKADZSINU-UHFFFAOYSA-N
XLogP8.09
TPSA77.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.64
LogP ≤ 58.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[6-[5-(quinolin-3-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]-5-(2,2,2-trifluoroethyl)phenol?
The IUPAC name of 2-fluoro-4-[6-[5-(quinolin-3-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]-5-(2,2,2-trifluoroethyl)phenol (CID 151326178) is 2-fluoro-4-[6-[5-(quinolin-3-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]-5-(2,2,2-trifluoroethyl)phenol.
What is the SMILES notation for 2-fluoro-4-[6-[5-(quinolin-3-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]-5-(2,2,2-trifluoroethyl)phenol?
The canonical SMILES for 2-fluoro-4-[6-[5-(quinolin-3-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]-5-(2,2,2-trifluoroethyl)phenol is Oc1cc(CC(F)(F)F)c(-c2ccc3c(c2)C2=CC(c4nc5c([nH]4)CN(Cc4cnc6ccccc6c4)CC5)=CCC2=N3)cc1F.
What is the InChIKey of 2-fluoro-4-[6-[5-(quinolin-3-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]-5-(2,2,2-trifluoroethyl)phenol?
The InChIKey is OHMJCHKADZSINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27F4N5O/c37-28-15-25(24(14-34(28)46)16-36(38,39)40)21-5-7-30-26(12-21)27-13-23(6-8-31(27)42-30)35-43-32-9-10-45(19-33(32)44-35)18-20-11-22-3-1-2-4-29(22)41-17-20/h1-7,11-15,17,46H,8-10,16,18-19H2,(H,43,44).
What are the key properties of 2-fluoro-4-[6-[5-(quinolin-3-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]-5-(2,2,2-trifluoroethyl)phenol?
2-fluoro-4-[6-[5-(quinolin-3-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]-5-(2,2,2-trifluoroethyl)phenol has a molecular weight of 621.64 g/mol, XLogP of 8.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[6-[5-(quinolin-3-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]-5-(2,2,2-trifluoroethyl)phenol is sourced from PubChem (CID 151326178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).