1-[5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone

C33H24N4O2S — CID 137310733

IUPAC1-[5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OCc7ccccc7)c6)cc45)cc23)s1
InChIInChI=1S/C33H24N4O2S/c1-20(38)31-12-13-32(40-31)25-8-5-9-28-26(25)16-30(35-28)33-27-15-22(10-11-29(27)36-37-33)23-14-24(18-34-17-23)39-19-21-6-3-2-4-7-21/h2-18,35H,19H2,1H3,(H,36,37)
InChIKeyWBNPNBBJODGHEE-UHFFFAOYSA-N
MW540.65 g/mol
LogP8.28
Rot. Bonds7

About 1-[5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone

1-[5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone (PubChem CID 137310733) has the molecular formula C33H24N4O2S and a molecular weight of 540.65 g/mol. Its IUPAC name is 1-[5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone
PubChem CID137310733
Molecular FormulaC33H24N4O2S
Molecular Weight540.65 g/mol
Exact Mass540.16
IUPAC Name1-[5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OCc7ccccc7)c6)cc45)cc23)s1
InChIInChI=1S/C33H24N4O2S/c1-20(38)31-12-13-32(40-31)25-8-5-9-28-26(25)16-30(35-28)33-27-15-22(10-11-29(27)36-37-33)23-14-24(18-34-17-23)39-19-21-6-3-2-4-7-21/h2-18,35H,19H2,1H3,(H,36,37)
InChIKeyWBNPNBBJODGHEE-UHFFFAOYSA-N
XLogP8.28
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.65
LogP ≤ 58.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone (CID 137310733) is 1-[5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OCc7ccccc7)c6)cc45)cc23)s1.
What is the InChIKey of 1-[5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone?
The InChIKey is WBNPNBBJODGHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N4O2S/c1-20(38)31-12-13-32(40-31)25-8-5-9-28-26(25)16-30(35-28)33-27-15-22(10-11-29(27)36-37-33)23-14-24(18-34-17-23)39-19-21-6-3-2-4-7-21/h2-18,35H,19H2,1H3,(H,36,37).
What are the key properties of 1-[5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone?
1-[5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone has a molecular weight of 540.65 g/mol, XLogP of 8.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 137310733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).