4-[3-amino-5-[(2,6-difluorophenyl)methyl]-1H-indazol-6-yl]phenol

C20H15F2N3O — CID 137123716

IUPAC4-[3-amino-5-[(2,6-difluorophenyl)methyl]-1H-indazol-6-yl]phenol
SMILESNc1n[nH]c2cc(-c3ccc(O)cc3)c(Cc3c(F)cccc3F)cc12
InChIInChI=1S/C20H15F2N3O/c21-17-2-1-3-18(22)15(17)8-12-9-16-19(24-25-20(16)23)10-14(12)11-4-6-13(26)7-5-11/h1-7,9-10,26H,8H2,(H3,23,24,25)
InChIKeyWYGJTCONDBYSCV-UHFFFAOYSA-N
MW351.36 g/mol
LogP4.39
Rot. Bonds3

About 4-[3-amino-5-[(2,6-difluorophenyl)methyl]-1H-indazol-6-yl]phenol

4-[3-amino-5-[(2,6-difluorophenyl)methyl]-1H-indazol-6-yl]phenol (PubChem CID 137123716) has the molecular formula C20H15F2N3O and a molecular weight of 351.36 g/mol. Its IUPAC name is 4-[3-amino-5-[(2,6-difluorophenyl)methyl]-1H-indazol-6-yl]phenol.

Molecular Properties

Compound Name4-[3-amino-5-[(2,6-difluorophenyl)methyl]-1H-indazol-6-yl]phenol
PubChem CID137123716
Molecular FormulaC20H15F2N3O
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name4-[3-amino-5-[(2,6-difluorophenyl)methyl]-1H-indazol-6-yl]phenol
SMILESNc1n[nH]c2cc(-c3ccc(O)cc3)c(Cc3c(F)cccc3F)cc12
InChIInChI=1S/C20H15F2N3O/c21-17-2-1-3-18(22)15(17)8-12-9-16-19(24-25-20(16)23)10-14(12)11-4-6-13(26)7-5-11/h1-7,9-10,26H,8H2,(H3,23,24,25)
InChIKeyWYGJTCONDBYSCV-UHFFFAOYSA-N
XLogP4.39
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-amino-5-[(2,6-dichlorophenyl)methyl]-1H-indazol-6-yl]phenol
CID 137123714
4-[3-amino-6-(4-hydroxyphenyl)-1H-indazol-5-yl]phenol
CID 135848029
4-(3-amino-5-bromo-1H-indazol-6-yl)phenol
CID 135848027
5-[(dimethylamino)methyl]-6-fluoro-1H-indazol-3-amine
CID 147252659
5-[4-(aminomethyl)phenyl]-6-chloro-1H-indazol-3-amine
CID 151842688
4-[3-(3-ethylphenyl)-1H-indazol-6-yl]phenol
CID 166627727
4-(2,6-difluorophenyl)phenol
CID 53218545
2-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzoic acid
CID 154276679
4-(2-amino-3,4,5-trifluorophenyl)phenol
CID 174480876
5-pyridin-3-yl-1H-indazol-3-amine
CID 59023862
6-(2,6-dimethylphenyl)-1H-indazol-3-amine
CID 69066632
4-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol
CID 174463752

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-5-[(2,6-difluorophenyl)methyl]-1H-indazol-6-yl]phenol?
The IUPAC name of 4-[3-amino-5-[(2,6-difluorophenyl)methyl]-1H-indazol-6-yl]phenol (CID 137123716) is 4-[3-amino-5-[(2,6-difluorophenyl)methyl]-1H-indazol-6-yl]phenol.
What is the SMILES notation for 4-[3-amino-5-[(2,6-difluorophenyl)methyl]-1H-indazol-6-yl]phenol?
The canonical SMILES for 4-[3-amino-5-[(2,6-difluorophenyl)methyl]-1H-indazol-6-yl]phenol is Nc1n[nH]c2cc(-c3ccc(O)cc3)c(Cc3c(F)cccc3F)cc12.
What is the InChIKey of 4-[3-amino-5-[(2,6-difluorophenyl)methyl]-1H-indazol-6-yl]phenol?
The InChIKey is WYGJTCONDBYSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O/c21-17-2-1-3-18(22)15(17)8-12-9-16-19(24-25-20(16)23)10-14(12)11-4-6-13(26)7-5-11/h1-7,9-10,26H,8H2,(H3,23,24,25).
What are the key properties of 4-[3-amino-5-[(2,6-difluorophenyl)methyl]-1H-indazol-6-yl]phenol?
4-[3-amino-5-[(2,6-difluorophenyl)methyl]-1H-indazol-6-yl]phenol has a molecular weight of 351.36 g/mol, XLogP of 4.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-5-[(2,6-difluorophenyl)methyl]-1H-indazol-6-yl]phenol is sourced from PubChem (CID 137123716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).