1-[5-[[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-4H-1,3-thiazol-2-yl]piperidine-4-carboxylic acid

C26H25F3N4O3S — CID 67248624

IUPAC1-[5-[[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-4H-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
SMILESCOc1ccc(Cn2ncc3cc(C=C4CN=C(N5CCC(C(=O)O)CC5)S4)ccc32)c(C(F)(F)F)c1
InChIInChI=1S/C26H25F3N4O3S/c1-36-20-4-3-18(22(12-20)26(27,28)29)15-33-23-5-2-16(10-19(23)13-31-33)11-21-14-30-25(37-21)32-8-6-17(7-9-32)24(34)35/h2-5,10-13,17H,6-9,14-15H2,1H3,(H,34,35)
InChIKeyNPCDSEIDUMKOSF-UHFFFAOYSA-N
MW530.57 g/mol
LogP5.35
Rot. Bonds5

About 1-[5-[[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-4H-1,3-thiazol-2-yl]piperidine-4-carboxylic acid

1-[5-[[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-4H-1,3-thiazol-2-yl]piperidine-4-carboxylic acid (PubChem CID 67248624) has the molecular formula C26H25F3N4O3S and a molecular weight of 530.57 g/mol. Its IUPAC name is 1-[5-[[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-4H-1,3-thiazol-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-[[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-4H-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
PubChem CID67248624
Molecular FormulaC26H25F3N4O3S
Molecular Weight530.57 g/mol
Exact Mass530.16
IUPAC Name1-[5-[[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-4H-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
SMILESCOc1ccc(Cn2ncc3cc(C=C4CN=C(N5CCC(C(=O)O)CC5)S4)ccc32)c(C(F)(F)F)c1
InChIInChI=1S/C26H25F3N4O3S/c1-36-20-4-3-18(22(12-20)26(27,28)29)15-33-23-5-2-16(10-19(23)13-31-33)11-21-14-30-25(37-21)32-8-6-17(7-9-32)24(34)35/h2-5,10-13,17H,6-9,14-15H2,1H3,(H,34,35)
InChIKeyNPCDSEIDUMKOSF-UHFFFAOYSA-N
XLogP5.35
TPSA79.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.57
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-[[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-4H-1,3-thiazol-2-yl]piperidine-4-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[(5Z)-5-[[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 58530705
4-[(5Z)-5-({1-[4-methoxy-2-(trifluoromethyl)benzyl]-1H-indazol-5-yl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]cyclohexanecarboxylic acid
CID 58530759
(5Z)-5-[[1-[[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one
CID 58311495
(5Z)-2-[(3S)-3-aminopiperidin-1-yl]-5-[[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-1,3-thiazol-4-one
CID 58311497
(5Z)-5-[[1-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2-[(2S)-2-(methoxymethyl)morpholin-4-yl]-1,3-thiazol-4-one
CID 58311515
1-[(5Z)-5-[[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
CID 58311603
(5Z)-5-[[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one
CID 58311650
(5Z)-2-[(3R)-3-(hydroxymethyl)piperazin-1-yl]-5-[[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-1,3-thiazol-4-one
CID 58311663
(5Z)-5-[[1-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one
CID 58311673
[4-[[5-[(Z)-[2-(4-methylpiperazin-1-yl)-4-oxo-1,3-thiazol-5-ylidene]methyl]indazol-1-yl]methyl]-3-(trifluoromethyl)phenyl] methanesulfonate
CID 58311696
(2R)-1-[(5Z)-5-[[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid
CID 58311729
(5Z)-2-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-5-[[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-1,3-thiazol-4-one
CID 58311760

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-4H-1,3-thiazol-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[5-[[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-4H-1,3-thiazol-2-yl]piperidine-4-carboxylic acid (CID 67248624) is 1-[5-[[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-4H-1,3-thiazol-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[5-[[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-4H-1,3-thiazol-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[5-[[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-4H-1,3-thiazol-2-yl]piperidine-4-carboxylic acid is COc1ccc(Cn2ncc3cc(C=C4CN=C(N5CCC(C(=O)O)CC5)S4)ccc32)c(C(F)(F)F)c1.
What is the InChIKey of 1-[5-[[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-4H-1,3-thiazol-2-yl]piperidine-4-carboxylic acid?
The InChIKey is NPCDSEIDUMKOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O3S/c1-36-20-4-3-18(22(12-20)26(27,28)29)15-33-23-5-2-16(10-19(23)13-31-33)11-21-14-30-25(37-21)32-8-6-17(7-9-32)24(34)35/h2-5,10-13,17H,6-9,14-15H2,1H3,(H,34,35).
What are the key properties of 1-[5-[[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-4H-1,3-thiazol-2-yl]piperidine-4-carboxylic acid?
1-[5-[[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-4H-1,3-thiazol-2-yl]piperidine-4-carboxylic acid has a molecular weight of 530.57 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-4H-1,3-thiazol-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 67248624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).