3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-2,5-dihydropyrrol-3-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol

C26H24FN7O — CID 166552347

IUPAC3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-2,5-dihydropyrrol-3-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol
SMILESCCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=CCN(Cc5cn[nH]c5)C4)[nH]3)[nH]nc2c1F
InChIInChI=1S/C26H24FN7O/c1-2-16-9-18(35)3-4-19(16)20-5-6-21-24(23(20)27)32-33-25(21)26-28-12-22(31-26)17-7-8-34(14-17)13-15-10-29-30-11-15/h3-7,9-12,35H,2,8,13-14H2,1H3,(H,28,31)(H,29,30)(H,32,33)
InChIKeyOBYRQPDOWJXJJX-UHFFFAOYSA-N
MW469.52 g/mol
LogP4.65
Rot. Bonds6

About 3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-2,5-dihydropyrrol-3-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol

3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-2,5-dihydropyrrol-3-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol (PubChem CID 166552347) has the molecular formula C26H24FN7O and a molecular weight of 469.52 g/mol. Its IUPAC name is 3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-2,5-dihydropyrrol-3-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol.

Molecular Properties

Compound Name3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-2,5-dihydropyrrol-3-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol
PubChem CID166552347
Molecular FormulaC26H24FN7O
Molecular Weight469.52 g/mol
Exact Mass469.20
IUPAC Name3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-2,5-dihydropyrrol-3-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol
SMILESCCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=CCN(Cc5cn[nH]c5)C4)[nH]3)[nH]nc2c1F
InChIInChI=1S/C26H24FN7O/c1-2-16-9-18(35)3-4-19(16)20-5-6-21-24(23(20)27)32-33-25(21)26-28-12-22(31-26)17-7-8-34(14-17)13-15-10-29-30-11-15/h3-7,9-12,35H,2,8,13-14H2,1H3,(H,28,31)(H,29,30)(H,32,33)
InChIKeyOBYRQPDOWJXJJX-UHFFFAOYSA-N
XLogP4.65
TPSA109.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 54.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-2,5-dihydropyrrol-3-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol?
The IUPAC name of 3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-2,5-dihydropyrrol-3-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol (CID 166552347) is 3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-2,5-dihydropyrrol-3-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol.
What is the SMILES notation for 3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-2,5-dihydropyrrol-3-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol?
The canonical SMILES for 3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-2,5-dihydropyrrol-3-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol is CCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=CCN(Cc5cn[nH]c5)C4)[nH]3)[nH]nc2c1F.
What is the InChIKey of 3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-2,5-dihydropyrrol-3-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol?
The InChIKey is OBYRQPDOWJXJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O/c1-2-16-9-18(35)3-4-19(16)20-5-6-21-24(23(20)27)32-33-25(21)26-28-12-22(31-26)17-7-8-34(14-17)13-15-10-29-30-11-15/h3-7,9-12,35H,2,8,13-14H2,1H3,(H,28,31)(H,29,30)(H,32,33).
What are the key properties of 3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-2,5-dihydropyrrol-3-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol?
3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-2,5-dihydropyrrol-3-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol has a molecular weight of 469.52 g/mol, XLogP of 4.65, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-2,5-dihydropyrrol-3-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol is sourced from PubChem (CID 166552347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).