N-[4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide

C30H27FN4O5S — CID 87492853

IUPACN-[4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC2CCC(NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(O)c(C=O)c4)c3)CC2)cs1
InChIInChI=1S/C30H27FN4O5S/c1-17-33-26(16-41-17)29(39)35-23-8-6-22(7-9-23)34-28(38)25-13-21(31)14-32-30(25)40-24-4-2-3-18(12-24)19-5-10-27(37)20(11-19)15-36/h2-5,10-16,22-23,37H,6-9H2,1H3,(H,34,38)(H,35,39)
InChIKeyWTSIQVKJITZAIT-UHFFFAOYSA-N
MW574.63 g/mol
LogP5.43
Rot. Bonds8

About N-[4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide

N-[4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 87492853) has the molecular formula C30H27FN4O5S and a molecular weight of 574.63 g/mol. Its IUPAC name is N-[4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID87492853
Molecular FormulaC30H27FN4O5S
Molecular Weight574.63 g/mol
Exact Mass574.17
IUPAC NameN-[4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC2CCC(NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(O)c(C=O)c4)c3)CC2)cs1
InChIInChI=1S/C30H27FN4O5S/c1-17-33-26(16-41-17)29(39)35-23-8-6-22(7-9-23)34-28(38)25-13-21(31)14-32-30(25)40-24-4-2-3-18(12-24)19-5-10-27(37)20(11-19)15-36/h2-5,10-16,22-23,37H,6-9H2,1H3,(H,34,38)(H,35,39)
InChIKeyWTSIQVKJITZAIT-UHFFFAOYSA-N
XLogP5.43
TPSA130.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.63
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide 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 N-[4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 87492853) is N-[4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NC2CCC(NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(O)c(C=O)c4)c3)CC2)cs1.
What is the InChIKey of N-[4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is WTSIQVKJITZAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN4O5S/c1-17-33-26(16-41-17)29(39)35-23-8-6-22(7-9-23)34-28(38)25-13-21(31)14-32-30(25)40-24-4-2-3-18(12-24)19-5-10-27(37)20(11-19)15-36/h2-5,10-16,22-23,37H,6-9H2,1H3,(H,34,38)(H,35,39).
What are the key properties of N-[4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 574.63 g/mol, XLogP of 5.43, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 87492853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).