3-[2-[5-(3-aminophenyl)-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenol

C27H19FN4O — CID 137088879

IUPAC3-[2-[5-(3-aminophenyl)-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenol
SMILESNc1cccc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C27H19FN4O/c28-18-9-17(11-20(33)13-18)21-5-2-6-24-22(21)14-26(30-24)27-23-12-16(7-8-25(23)31-32-27)15-3-1-4-19(29)10-15/h1-14,30,33H,29H2,(H,31,32)
InChIKeyLEPJZPGOLQSSAO-UHFFFAOYSA-N
MW434.47 g/mol
LogP6.47
Rot. Bonds3

About 3-[2-[5-(3-aminophenyl)-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenol

3-[2-[5-(3-aminophenyl)-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenol (PubChem CID 137088879) has the molecular formula C27H19FN4O and a molecular weight of 434.47 g/mol. Its IUPAC name is 3-[2-[5-(3-aminophenyl)-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenol.

Molecular Properties

Compound Name3-[2-[5-(3-aminophenyl)-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenol
PubChem CID137088879
Molecular FormulaC27H19FN4O
Molecular Weight434.47 g/mol
Exact Mass434.15
IUPAC Name3-[2-[5-(3-aminophenyl)-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenol
SMILESNc1cccc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C27H19FN4O/c28-18-9-17(11-20(33)13-18)21-5-2-6-24-22(21)14-26(30-24)27-23-12-16(7-8-25(23)31-32-27)15-3-1-4-19(29)10-15/h1-14,30,33H,29H2,(H,31,32)
InChIKeyLEPJZPGOLQSSAO-UHFFFAOYSA-N
XLogP6.47
TPSA90.72 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.47
LogP ≤ 56.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol
CID 137308448
3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]phenol
CID 137115754
N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137116095
3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-indol-4-yl]phenol
CID 137113726
3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenol
CID 137310693
5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 137113395
3-[4-(3-fluorophenyl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole
CID 137310690
3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole
CID 137308443
5-(1H-pyrazol-4-yl)-3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-indazole
CID 137115638
N-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 137088651
3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol
CID 137113808
5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
CID 137111858

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(3-aminophenyl)-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenol?
The IUPAC name of 3-[2-[5-(3-aminophenyl)-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenol (CID 137088879) is 3-[2-[5-(3-aminophenyl)-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenol.
What is the SMILES notation for 3-[2-[5-(3-aminophenyl)-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenol?
The canonical SMILES for 3-[2-[5-(3-aminophenyl)-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenol is Nc1cccc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)c3c2)c1.
What is the InChIKey of 3-[2-[5-(3-aminophenyl)-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenol?
The InChIKey is LEPJZPGOLQSSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN4O/c28-18-9-17(11-20(33)13-18)21-5-2-6-24-22(21)14-26(30-24)27-23-12-16(7-8-25(23)31-32-27)15-3-1-4-19(29)10-15/h1-14,30,33H,29H2,(H,31,32).
What are the key properties of 3-[2-[5-(3-aminophenyl)-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenol?
3-[2-[5-(3-aminophenyl)-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenol has a molecular weight of 434.47 g/mol, XLogP of 6.47, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-(3-aminophenyl)-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenol is sourced from PubChem (CID 137088879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).