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

C33H22FN5O2 — CID 137038186

IUPACN-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)c3c2)c1)c1ccccc1
InChIInChI=1S/C33H22FN5O2/c34-23-11-21(13-25(40)15-23)26-7-4-8-29-27(26)16-31(37-29)32-28-14-20(9-10-30(28)38-39-32)22-12-24(18-35-17-22)36-33(41)19-5-2-1-3-6-19/h1-18,37,40H,(H,36,41)(H,38,39)
InChIKeySRIXQTXNQOFURP-UHFFFAOYSA-N
MW539.57 g/mol
LogP7.54
Rot. Bonds5

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

N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide (PubChem CID 137038186) has the molecular formula C33H22FN5O2 and a molecular weight of 539.57 g/mol. Its IUPAC name is N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
PubChem CID137038186
Molecular FormulaC33H22FN5O2
Molecular Weight539.57 g/mol
Exact Mass539.18
IUPAC NameN-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)c3c2)c1)c1ccccc1
InChIInChI=1S/C33H22FN5O2/c34-23-11-21(13-25(40)15-23)26-7-4-8-29-27(26)16-31(37-29)32-28-14-20(9-10-30(28)38-39-32)22-12-24(18-35-17-22)36-33(41)19-5-2-1-3-6-19/h1-18,37,40H,(H,36,41)(H,38,39)
InChIKeySRIXQTXNQOFURP-UHFFFAOYSA-N
XLogP7.54
TPSA106.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.57
LogP ≤ 57.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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]benzamide?
The IUPAC name of N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide (CID 137038186) is N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The canonical SMILES for N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide is O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)c3c2)c1)c1ccccc1.
What is the InChIKey of N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The InChIKey is SRIXQTXNQOFURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22FN5O2/c34-23-11-21(13-25(40)15-23)26-7-4-8-29-27(26)16-31(37-29)32-28-14-20(9-10-30(28)38-39-32)22-12-24(18-35-17-22)36-33(41)19-5-2-1-3-6-19/h1-18,37,40H,(H,36,41)(H,38,39).
What are the key properties of N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide?
N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide has a molecular weight of 539.57 g/mol, XLogP of 7.54, 5 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]benzamide is sourced from PubChem (CID 137038186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).