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

C40H25F6N13O2S — CID 158413954

IUPACN-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide
SMILESCc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C#N)cc12.N#Cc1ccc2c(c1)c(NC(=O)c1cccnn1)nn2Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C20H12F3N7O.C20H13F3N6OS/c21-20(22,23)17-6-4-13(10-25-17)11-30-16-5-3-12(9-24)8-14(16)18(29-30)27-19(31)15-2-1-7-26-28-15;1-11-17(31-10-26-11)19(30)27-18-14-6-12(7-24)2-4-15(14)29(28-18)9-13-3-5-16(25-8-13)20(21,22)23/h1-8,10H,11H2,(H,27,29,31);2-6,8,10H,9H2,1H3,(H,27,28,30)
InChIKeyGZQOAXPLWHXHGZ-UHFFFAOYSA-N
MW865.78 g/mol
LogP7.80
Rot. Bonds8

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

N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide (PubChem CID 158413954) has the molecular formula C40H25F6N13O2S and a molecular weight of 865.78 g/mol. Its IUPAC name is N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide
PubChem CID158413954
Molecular FormulaC40H25F6N13O2S
Molecular Weight865.78 g/mol
Exact Mass865.19
IUPAC NameN-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide
SMILESCc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C#N)cc12.N#Cc1ccc2c(c1)c(NC(=O)c1cccnn1)nn2Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C20H12F3N7O.C20H13F3N6OS/c21-20(22,23)17-6-4-13(10-25-17)11-30-16-5-3-12(9-24)8-14(16)18(29-30)27-19(31)15-2-1-7-26-28-15;1-11-17(31-10-26-11)19(30)27-18-14-6-12(7-24)2-4-15(14)29(28-18)9-13-3-5-16(25-8-13)20(21,22)23/h1-8,10H,11H2,(H,27,29,31);2-6,8,10H,9H2,1H3,(H,27,28,30)
InChIKeyGZQOAXPLWHXHGZ-UHFFFAOYSA-N
XLogP7.80
TPSA205.87 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500865.78
LogP ≤ 57.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide with MolForge

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Related Compounds

3-[2-[4-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl]piperazin-1-yl]-1,3-thiazol-4-yl]benzonitrile
CID 137049602
2-[5-methyl-4-[4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049636
2-[5-methyl-4-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049679
4-methyl-N-[1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide
CID 118335410
N-[5-cyano-1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118335583
N-[1-[[4-(fluoromethyl)phenyl]methyl]-5-(trifluoromethyl)indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118466759
N-[1-[(4-fluorophenyl)methyl]-5-[6-[[1-[(4-fluorophenyl)methyl]indazol-3-yl]carbamoyl]pyridazin-4-yl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 126603579
N-[1-[(4-fluorophenyl)methyl]-5-[(Z)-5-[[1-[(4-fluorophenyl)methyl]indazol-3-yl]amino]-1,4-diimino-5-oxopent-2-en-2-yl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 135277871
N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]acetamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide
CID 157499824
N-[1-[(4-cyanophenyl)methyl]-5-[6-[[1-[(4-cyanophenyl)methyl]indazol-3-yl]carbamoyl]pyridazin-4-yl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 135277897
N-[1-[(4-chlorophenyl)methyl]-5-[6-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]pyridazin-4-yl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 146329884
4-methyl-N-[1-[(4-methylphenyl)methyl]-5-[6-[[1-[(4-methylphenyl)methyl]indazol-3-yl]carbamoyl]pyridazin-4-yl]indazol-3-yl]-1,3-thiazole-5-carboxamide
CID 146329956

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide?
The IUPAC name of N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide (CID 158413954) is N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide is Cc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C#N)cc12.N#Cc1ccc2c(c1)c(NC(=O)c1cccnn1)nn2Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide?
The InChIKey is GZQOAXPLWHXHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N7O.C20H13F3N6OS/c21-20(22,23)17-6-4-13(10-25-17)11-30-16-5-3-12(9-24)8-14(16)18(29-30)27-19(31)15-2-1-7-26-28-15;1-11-17(31-10-26-11)19(30)27-18-14-6-12(7-24)2-4-15(14)29(28-18)9-13-3-5-16(25-8-13)20(21,22)23/h1-8,10H,11H2,(H,27,29,31);2-6,8,10H,9H2,1H3,(H,27,28,30).
What are the key properties of N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide?
N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide has a molecular weight of 865.78 g/mol, XLogP of 7.80, 8 rotatable bonds, 2 hydrogen bond donors, and 14 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-1,3-thiazole-5-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 158413954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).