2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide

C17H11ClF3N5OS — CID 58278966

IUPAC2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
SMILESCn1nc(C(F)(F)F)c(C2=Nc3c(cccc3C(=O)Nc3nccs3)C2)c1Cl
InChIInChI=1S/C17H11ClF3N5OS/c1-26-14(18)11(13(25-26)17(19,20)21)10-7-8-3-2-4-9(12(8)23-10)15(27)24-16-22-5-6-28-16/h2-6H,7H2,1H3,(H,22,24,27)
InChIKeyBGEMDQHLAYVQPI-UHFFFAOYSA-N
MW425.82 g/mol
LogP4.48
Rot. Bonds3

About 2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide

2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide (PubChem CID 58278966) has the molecular formula C17H11ClF3N5OS and a molecular weight of 425.82 g/mol. Its IUPAC name is 2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide.

Molecular Properties

Compound Name2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
PubChem CID58278966
Molecular FormulaC17H11ClF3N5OS
Molecular Weight425.82 g/mol
Exact Mass425.03
IUPAC Name2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
SMILESCn1nc(C(F)(F)F)c(C2=Nc3c(cccc3C(=O)Nc3nccs3)C2)c1Cl
InChIInChI=1S/C17H11ClF3N5OS/c1-26-14(18)11(13(25-26)17(19,20)21)10-7-8-3-2-4-9(12(8)23-10)15(27)24-16-22-5-6-28-16/h2-6H,7H2,1H3,(H,22,24,27)
InChIKeyBGEMDQHLAYVQPI-UHFFFAOYSA-N
XLogP4.48
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.82
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-pyridin-4-yl-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 58279305
2-[5-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 58279339
N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]-3H-indole-7-carboxamide
CID 58278699
2-[2-(difluoromethyl)-4-fluorophenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 58278747
2-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 58279011
2,3-difluoro-N-(1,3-thiazol-2-yl)benzamide
CID 62650804
potassium;2-(5-chloro-2-methylphenyl)-3H-indole-7-carboxylic acid;1-methanidylpyrrolidine;2-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine;trifluoroborane
CID 160800996
N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide
CID 58279245
N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide
CID 58278852
2-chloro-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)quinoline-8-carboxamide
CID 87189840
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide
CID 58279170
2-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-2-yl)benzamide
CID 110464702

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The IUPAC name of 2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide (CID 58278966) is 2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide.
What is the SMILES notation for 2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The canonical SMILES for 2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide is Cn1nc(C(F)(F)F)c(C2=Nc3c(cccc3C(=O)Nc3nccs3)C2)c1Cl.
What is the InChIKey of 2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The InChIKey is BGEMDQHLAYVQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N5OS/c1-26-14(18)11(13(25-26)17(19,20)21)10-7-8-3-2-4-9(12(8)23-10)15(27)24-16-22-5-6-28-16/h2-6H,7H2,1H3,(H,22,24,27).
What are the key properties of 2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide has a molecular weight of 425.82 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide is sourced from PubChem (CID 58278966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).