N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide

C34H24FN5O2 — CID 137115888

IUPACN-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C34H24FN5O2/c35-24-12-22(14-26(41)16-24)27-7-4-8-30-28(27)17-32(38-30)34-29-15-21(9-10-31(29)39-40-34)23-13-25(19-36-18-23)37-33(42)11-20-5-2-1-3-6-20/h1-10,12-19,38,41H,11H2,(H,37,42)(H,39,40)
InChIKeySZXOJPVNGUXBAJ-UHFFFAOYSA-N
MW553.60 g/mol
LogP7.47
Rot. Bonds6

About N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide

N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide (PubChem CID 137115888) has the molecular formula C34H24FN5O2 and a molecular weight of 553.60 g/mol. Its IUPAC name is N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
PubChem CID137115888
Molecular FormulaC34H24FN5O2
Molecular Weight553.60 g/mol
Exact Mass553.19
IUPAC NameN-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C34H24FN5O2/c35-24-12-22(14-26(41)16-24)27-7-4-8-30-28(27)17-32(38-30)34-29-15-21(9-10-31(29)39-40-34)23-13-25(19-36-18-23)37-33(42)11-20-5-2-1-3-6-20/h1-10,12-19,38,41H,11H2,(H,37,42)(H,39,40)
InChIKeySZXOJPVNGUXBAJ-UHFFFAOYSA-N
XLogP7.47
TPSA106.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.60
LogP ≤ 57.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-Ethyl-4-Hydroxyphenyl)-N-(6-Methylpyridin-3-Yl)-1h-Indazole-3-Carboxamide
CID 135567295
6-(3-fluoro-5-hydroxyphenyl)-2-[[3-[1-[4-(morpholine-4-carbonyl)phenyl]triazol-4-yl]-1H-indazol-5-yl]methyl]pyridazin-3-one
CID 68060907
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide
CID 89459103
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide
CID 89459109
N-[5-[1-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-4,5-dihydro-3H-2-benzazepin-8-yl]-3-pyridinyl]benzamide
CID 126564690
N-[2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide
CID 135215711
2-[5-[[(2R)-2-amino-3-(1H-indol-3-yl)propyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]-4-fluorophenol
CID 136394373
2-[5-[[(2S)-2-amino-3-(1H-indol-3-yl)propyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]-4-fluorophenol
CID 136394374
N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136937129
N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 136937130
N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 136937136
N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 136937139

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide (CID 137115888) is N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)c3c2)c1.
What is the InChIKey of N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide?
The InChIKey is SZXOJPVNGUXBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24FN5O2/c35-24-12-22(14-26(41)16-24)27-7-4-8-30-28(27)17-32(38-30)34-29-15-21(9-10-31(29)39-40-34)23-13-25(19-36-18-23)37-33(42)11-20-5-2-1-3-6-20/h1-10,12-19,38,41H,11H2,(H,37,42)(H,39,40).
What are the key properties of N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide?
N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide has a molecular weight of 553.60 g/mol, XLogP of 7.47, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 137115888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).