N-(3-amino-1H-indazol-5-yl)-2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

C26H25F3N6O2S — CID 59496782

IUPACN-(3-amino-1H-indazol-5-yl)-2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESNc1n[nH]c2ccc(NC(=O)c3csc(C4CCN(C(=O)CCc5ccc(C(F)(F)F)cc5)CC4)n3)cc12
InChIInChI=1S/C26H25F3N6O2S/c27-26(28,29)17-4-1-15(2-5-17)3-8-22(36)35-11-9-16(10-12-35)25-32-21(14-38-25)24(37)31-18-6-7-20-19(13-18)23(30)34-33-20/h1-2,4-7,13-14,16H,3,8-12H2,(H,31,37)(H3,30,33,34)
InChIKeyKISLJDJGELMNAR-UHFFFAOYSA-N
MW542.59 g/mol
LogP5.21
Rot. Bonds6

About N-(3-amino-1H-indazol-5-yl)-2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-(3-amino-1H-indazol-5-yl)-2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 59496782) has the molecular formula C26H25F3N6O2S and a molecular weight of 542.59 g/mol. Its IUPAC name is N-(3-amino-1H-indazol-5-yl)-2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-1H-indazol-5-yl)-2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID59496782
Molecular FormulaC26H25F3N6O2S
Molecular Weight542.59 g/mol
Exact Mass542.17
IUPAC NameN-(3-amino-1H-indazol-5-yl)-2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESNc1n[nH]c2ccc(NC(=O)c3csc(C4CCN(C(=O)CCc5ccc(C(F)(F)F)cc5)CC4)n3)cc12
InChIInChI=1S/C26H25F3N6O2S/c27-26(28,29)17-4-1-15(2-5-17)3-8-22(36)35-11-9-16(10-12-35)25-32-21(14-38-25)24(37)31-18-6-7-20-19(13-18)23(30)34-33-20/h1-2,4-7,13-14,16H,3,8-12H2,(H,31,37)(H3,30,33,34)
InChIKeyKISLJDJGELMNAR-UHFFFAOYSA-N
XLogP5.21
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.59
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazol-4-yl] N-(3-amino-1H-indazol-5-yl)carbamate
CID 118250027
[2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazol-4-yl] hydrogen carbonate
CID 118250031
2-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 59208978
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 3667430
4-[4-(2H-benzotriazol-5-ylcarbamoyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 118250037
N-[2-[3-(1,1-difluoroethyl)phenyl]phenyl]-2-[1-[3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 142982584
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 4986303
4-[4-(1H-indazol-5-ylcarbamoyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 118250045
2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 3778842
N-(2-tert-butylcyclohexyl)-2-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 142983063
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 4999345
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-[1-[(E)-7-(trifluoromethyl)dec-7-enoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 162600336

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-1H-indazol-5-yl)-2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-amino-1H-indazol-5-yl)-2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 59496782) is N-(3-amino-1H-indazol-5-yl)-2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-1H-indazol-5-yl)-2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-amino-1H-indazol-5-yl)-2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is Nc1n[nH]c2ccc(NC(=O)c3csc(C4CCN(C(=O)CCc5ccc(C(F)(F)F)cc5)CC4)n3)cc12.
What is the InChIKey of N-(3-amino-1H-indazol-5-yl)-2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is KISLJDJGELMNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O2S/c27-26(28,29)17-4-1-15(2-5-17)3-8-22(36)35-11-9-16(10-12-35)25-32-21(14-38-25)24(37)31-18-6-7-20-19(13-18)23(30)34-33-20/h1-2,4-7,13-14,16H,3,8-12H2,(H,31,37)(H3,30,33,34).
What are the key properties of N-(3-amino-1H-indazol-5-yl)-2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
N-(3-amino-1H-indazol-5-yl)-2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 542.59 g/mol, XLogP of 5.21, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-1H-indazol-5-yl)-2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59496782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).