5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylphenol

C27H24FN3O2 — CID 155734877

IUPAC5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylphenol
SMILESCc1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)cc1O
InChIInChI=1S/C27H24FN3O2/c1-16-2-3-18(13-25(16)32)26-22-14-23-19(15-29-30-23)12-24(22)31(21-6-4-20(28)5-7-21)27(26)17-8-10-33-11-9-17/h2-7,12-15,17,32H,8-11H2,1H3,(H,29,30)
InChIKeyMKYNHQATNWPMOZ-UHFFFAOYSA-N
MW441.51 g/mol
LogP6.22
Rot. Bonds3

About 5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylphenol

5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylphenol (PubChem CID 155734877) has the molecular formula C27H24FN3O2 and a molecular weight of 441.51 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylphenol.

Molecular Properties

Compound Name5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylphenol
PubChem CID155734877
Molecular FormulaC27H24FN3O2
Molecular Weight441.51 g/mol
Exact Mass441.19
IUPAC Name5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylphenol
SMILESCc1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)cc1O
InChIInChI=1S/C27H24FN3O2/c1-16-2-3-18(13-25(16)32)26-22-14-23-19(15-29-30-23)12-24(22)31(21-6-4-20(28)5-7-21)27(26)17-8-10-33-11-9-17/h2-7,12-15,17,32H,8-11H2,1H3,(H,29,30)
InChIKeyMKYNHQATNWPMOZ-UHFFFAOYSA-N
XLogP6.22
TPSA63.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.51
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol
CID 142445494
4-[piperidin-1-yl-(4-pyrrol-1-ylphenyl)methyl]-1H-indazol-5-ol
CID 162662166
3-{2-[(1-phenyl-1H-pyrazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl}phenol
CID 16192333
4-[[6-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluoroaniline
CID 66767155
3-[4-Amino-1-[1-[3-[4-(morpholin-4-ylmethyl)phenyl]indolizin-2-yl]ethyl]indazol-3-yl]-5-fluorophenol
CID 118573416
9-Ethyl-6-[5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]carbazol-3-ol
CID 132069914
3-fluoro-5-[2-[6-methyl-5-(3-methylphenyl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
CID 137034026
3-fluoro-5-[2-[5-(3-hydroxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol
CID 137103051
3-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenol
CID 137103275
3-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenol
CID 137116013
4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol
CID 142445439
4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol
CID 142445477

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylphenol?
The IUPAC name of 5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylphenol (CID 155734877) is 5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylphenol.
What is the SMILES notation for 5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylphenol?
The canonical SMILES for 5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylphenol is Cc1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)cc1O.
What is the InChIKey of 5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylphenol?
The InChIKey is MKYNHQATNWPMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O2/c1-16-2-3-18(13-25(16)32)26-22-14-23-19(15-29-30-23)12-24(22)31(21-6-4-20(28)5-7-21)27(26)17-8-10-33-11-9-17/h2-7,12-15,17,32H,8-11H2,1H3,(H,29,30).
What are the key properties of 5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylphenol?
5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylphenol has a molecular weight of 441.51 g/mol, XLogP of 6.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylphenol is sourced from PubChem (CID 155734877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).