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

C34H24FN5O2 — CID 137115406

IUPACN-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
SMILESCOc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)c7ccccc7)c6)cc45)cc23)c1
InChIInChI=1S/C34H24FN5O2/c1-42-26-14-22(12-24(35)16-26)27-8-5-9-30-28(27)17-32(38-30)33-29-15-21(10-11-31(29)39-40-33)23-13-25(19-36-18-23)37-34(41)20-6-3-2-4-7-20/h2-19,38H,1H3,(H,37,41)(H,39,40)
InChIKeyFSEIQRGCGHWHHY-UHFFFAOYSA-N
MW553.60 g/mol
LogP7.84
Rot. Bonds6

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

N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide (PubChem CID 137115406) 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-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
PubChem CID137115406
Molecular FormulaC34H24FN5O2
Molecular Weight553.60 g/mol
Exact Mass553.19
IUPAC NameN-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
SMILESCOc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)c7ccccc7)c6)cc45)cc23)c1
InChIInChI=1S/C34H24FN5O2/c1-42-26-14-22(12-24(35)16-26)27-8-5-9-30-28(27)17-32(38-30)33-29-15-21(10-11-31(29)39-40-33)23-13-25(19-36-18-23)37-34(41)20-6-3-2-4-7-20/h2-19,38H,1H3,(H,37,41)(H,39,40)
InChIKeyFSEIQRGCGHWHHY-UHFFFAOYSA-N
XLogP7.84
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.60
LogP ≤ 57.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The IUPAC name of N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide (CID 137115406) is N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The canonical SMILES for N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide is COc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)c7ccccc7)c6)cc45)cc23)c1.
What is the InChIKey of N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The InChIKey is FSEIQRGCGHWHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24FN5O2/c1-42-26-14-22(12-24(35)16-26)27-8-5-9-30-28(27)17-32(38-30)33-29-15-21(10-11-31(29)39-40-33)23-13-25(19-36-18-23)37-34(41)20-6-3-2-4-7-20/h2-19,38H,1H3,(H,37,41)(H,39,40).
What are the key properties of N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide?
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide has a molecular weight of 553.60 g/mol, XLogP of 7.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 137115406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).