3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol

C26H17FN4O — CID 137115295

IUPAC3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol
SMILESOc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)cc45)cc23)c1
InChIInChI=1S/C26H17FN4O/c27-18-9-17(10-19(32)12-18)20-4-1-5-23-21(20)13-25(29-23)26-22-11-15(6-7-24(22)30-31-26)16-3-2-8-28-14-16/h1-14,29,32H,(H,30,31)
InChIKeyMRTYHZNWVNJPOB-UHFFFAOYSA-N
MW420.45 g/mol
LogP6.28
Rot. Bonds3

About 3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol

3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol (PubChem CID 137115295) has the molecular formula C26H17FN4O and a molecular weight of 420.45 g/mol. Its IUPAC name is 3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol
PubChem CID137115295
Molecular FormulaC26H17FN4O
Molecular Weight420.45 g/mol
Exact Mass420.14
IUPAC Name3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol
SMILESOc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)cc45)cc23)c1
InChIInChI=1S/C26H17FN4O/c27-18-9-17(10-19(32)12-18)20-4-1-5-23-21(20)13-25(29-23)26-22-11-15(6-7-24(22)30-31-26)16-3-2-8-28-14-16/h1-14,29,32H,(H,30,31)
InChIKeyMRTYHZNWVNJPOB-UHFFFAOYSA-N
XLogP6.28
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.45
LogP ≤ 56.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137637094
5-fluoro-2-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137651391
3-(1H-indazol-4-yl)-5-(pyridin-3-ylamino)phenol
CID 15604054
3-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol
CID 142445494
3-{2-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl}phenol
CID 16188061
4,5-difluoro-2-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137640932
2-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137641135
2-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]-4-methylphenol
CID 137646334
2,4-difluoro-6-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137650511
2-fluoro-6-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137652073
3-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137661196
4-[piperidin-1-yl-(4-pyrrol-1-ylphenyl)methyl]-1H-indazol-5-ol
CID 162662166

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol?
The IUPAC name of 3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol (CID 137115295) is 3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol.
What is the SMILES notation for 3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol?
The canonical SMILES for 3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol is Oc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)cc45)cc23)c1.
What is the InChIKey of 3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol?
The InChIKey is MRTYHZNWVNJPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17FN4O/c27-18-9-17(10-19(32)12-18)20-4-1-5-23-21(20)13-25(29-23)26-22-11-15(6-7-24(22)30-31-26)16-3-2-8-28-14-16/h1-14,29,32H,(H,30,31).
What are the key properties of 3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol?
3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol has a molecular weight of 420.45 g/mol, XLogP of 6.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenol is sourced from PubChem (CID 137115295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).