ethyl 2-[1-[[6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl]acetate

C30H28N4O3S — CID 86760434

IUPACethyl 2-[1-[[6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl]acetate
SMILESCCOC(=O)Cc1cn(Cc2ccc(OCc3nc(-c4ccccc4)sc3C)nc2)nc1-c1ccccc1
InChIInChI=1S/C30H28N4O3S/c1-3-36-28(35)16-25-19-34(33-29(25)23-10-6-4-7-11-23)18-22-14-15-27(31-17-22)37-20-26-21(2)38-30(32-26)24-12-8-5-9-13-24/h4-15,17,19H,3,16,18,20H2,1-2H3
InChIKeySGPUYAFVHQBRSK-UHFFFAOYSA-N
MW524.65 g/mol
LogP6.11
Rot. Bonds10

About ethyl 2-[1-[[6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl]acetate

ethyl 2-[1-[[6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl]acetate (PubChem CID 86760434) has the molecular formula C30H28N4O3S and a molecular weight of 524.65 g/mol. Its IUPAC name is ethyl 2-[1-[[6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[[6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl]acetate
PubChem CID86760434
Molecular FormulaC30H28N4O3S
Molecular Weight524.65 g/mol
Exact Mass524.19
IUPAC Nameethyl 2-[1-[[6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl]acetate
SMILESCCOC(=O)Cc1cn(Cc2ccc(OCc3nc(-c4ccccc4)sc3C)nc2)nc1-c1ccccc1
InChIInChI=1S/C30H28N4O3S/c1-3-36-28(35)16-25-19-34(33-29(25)23-10-6-4-7-11-23)18-22-14-15-27(31-17-22)37-20-26-21(2)38-30(32-26)24-12-8-5-9-13-24/h4-15,17,19H,3,16,18,20H2,1-2H3
InChIKeySGPUYAFVHQBRSK-UHFFFAOYSA-N
XLogP6.11
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.65
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[1-[[6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl]acetate 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 ethyl 2-[1-[[6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl]acetate?
The IUPAC name of ethyl 2-[1-[[6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl]acetate (CID 86760434) is ethyl 2-[1-[[6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[1-[[6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[1-[[6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl]acetate is CCOC(=O)Cc1cn(Cc2ccc(OCc3nc(-c4ccccc4)sc3C)nc2)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-[1-[[6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl]acetate?
The InChIKey is SGPUYAFVHQBRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O3S/c1-3-36-28(35)16-25-19-34(33-29(25)23-10-6-4-7-11-23)18-22-14-15-27(31-17-22)37-20-26-21(2)38-30(32-26)24-12-8-5-9-13-24/h4-15,17,19H,3,16,18,20H2,1-2H3.
What are the key properties of ethyl 2-[1-[[6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl]acetate?
ethyl 2-[1-[[6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl]acetate has a molecular weight of 524.65 g/mol, XLogP of 6.11, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[[6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl]acetate is sourced from PubChem (CID 86760434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).