N-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

C25H18F3N5OS — CID 156760477

IUPACN-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1nc(NC(=O)Cc2cccc(C(F)(F)F)c2)sc1-c1ccc2c(-c3cccnc3)n[nH]c2c1
InChIInChI=1S/C25H18F3N5OS/c1-14-23(16-7-8-19-20(12-16)32-33-22(19)17-5-3-9-29-13-17)35-24(30-14)31-21(34)11-15-4-2-6-18(10-15)25(26,27)28/h2-10,12-13H,11H2,1H3,(H,32,33)(H,30,31,34)
InChIKeySTVABOOUHOQERV-UHFFFAOYSA-N
MW493.51 g/mol
LogP6.26
Rot. Bonds5

About N-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 156760477) has the molecular formula C25H18F3N5OS and a molecular weight of 493.51 g/mol. Its IUPAC name is N-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID156760477
Molecular FormulaC25H18F3N5OS
Molecular Weight493.51 g/mol
Exact Mass493.12
IUPAC NameN-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1nc(NC(=O)Cc2cccc(C(F)(F)F)c2)sc1-c1ccc2c(-c3cccnc3)n[nH]c2c1
InChIInChI=1S/C25H18F3N5OS/c1-14-23(16-7-8-19-20(12-16)32-33-22(19)17-5-3-9-29-13-17)35-24(30-14)31-21(34)11-15-4-2-6-18(10-15)25(26,27)28/h2-10,12-13H,11H2,1H3,(H,32,33)(H,30,31,34)
InChIKeySTVABOOUHOQERV-UHFFFAOYSA-N
XLogP6.26
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.51
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 156760477) is N-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is Cc1nc(NC(=O)Cc2cccc(C(F)(F)F)c2)sc1-c1ccc2c(-c3cccnc3)n[nH]c2c1.
What is the InChIKey of N-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is STVABOOUHOQERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5OS/c1-14-23(16-7-8-19-20(12-16)32-33-22(19)17-5-3-9-29-13-17)35-24(30-14)31-21(34)11-15-4-2-6-18(10-15)25(26,27)28/h2-10,12-13H,11H2,1H3,(H,32,33)(H,30,31,34).
What are the key properties of N-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 493.51 g/mol, XLogP of 6.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 156760477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).