N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,2-thiazole-5-carboxamide

C20H13F3N6OS — CID 162473932

IUPACN-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,2-thiazole-5-carboxamide
SMILESCc1cnsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C#N)cc12
InChIInChI=1S/C20H13F3N6OS/c1-11-8-26-31-17(11)19(30)27-18-14-6-12(7-24)2-4-15(14)29(28-18)10-13-3-5-16(25-9-13)20(21,22)23/h2-6,8-9H,10H2,1H3,(H,27,28,30)
InChIKeyWXYQLPOBKHXJHD-UHFFFAOYSA-N
MW442.43 g/mol
LogP4.39
Rot. Bonds4

About N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,2-thiazole-5-carboxamide

N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,2-thiazole-5-carboxamide (PubChem CID 162473932) has the molecular formula C20H13F3N6OS and a molecular weight of 442.43 g/mol. Its IUPAC name is N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,2-thiazole-5-carboxamide
PubChem CID162473932
Molecular FormulaC20H13F3N6OS
Molecular Weight442.43 g/mol
Exact Mass442.08
IUPAC NameN-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,2-thiazole-5-carboxamide
SMILESCc1cnsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C#N)cc12
InChIInChI=1S/C20H13F3N6OS/c1-11-8-26-31-17(11)19(30)27-18-14-6-12(7-24)2-4-15(14)29(28-18)10-13-3-5-16(25-9-13)20(21,22)23/h2-6,8-9H,10H2,1H3,(H,27,28,30)
InChIKeyWXYQLPOBKHXJHD-UHFFFAOYSA-N
XLogP4.39
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,2-thiazole-5-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-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,2-thiazole-5-carboxamide?
The IUPAC name of N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,2-thiazole-5-carboxamide (CID 162473932) is N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,2-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,2-thiazole-5-carboxamide?
The canonical SMILES for N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,2-thiazole-5-carboxamide is Cc1cnsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C#N)cc12.
What is the InChIKey of N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,2-thiazole-5-carboxamide?
The InChIKey is WXYQLPOBKHXJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N6OS/c1-11-8-26-31-17(11)19(30)27-18-14-6-12(7-24)2-4-15(14)29(28-18)10-13-3-5-16(25-9-13)20(21,22)23/h2-6,8-9H,10H2,1H3,(H,27,28,30).
What are the key properties of N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,2-thiazole-5-carboxamide?
N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,2-thiazole-5-carboxamide has a molecular weight of 442.43 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 162473932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).