4-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-thiazole-5-carboxamide

C20H16F3N5OS — CID 118335591

IUPAC4-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc2c(NC(=O)c3scnc3C)nn(Cc3ccc(C(F)(F)F)cc3)c2n1
InChIInChI=1S/C20H16F3N5OS/c1-11-3-8-15-17(26-19(29)16-12(2)24-10-30-16)27-28(18(15)25-11)9-13-4-6-14(7-5-13)20(21,22)23/h3-8,10H,9H2,1-2H3,(H,26,27,29)
InChIKeyBPKJDMHTAWTIJX-UHFFFAOYSA-N
MW431.44 g/mol
LogP4.82
Rot. Bonds4

About 4-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-thiazole-5-carboxamide

4-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 118335591) has the molecular formula C20H16F3N5OS and a molecular weight of 431.44 g/mol. Its IUPAC name is 4-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID118335591
Molecular FormulaC20H16F3N5OS
Molecular Weight431.44 g/mol
Exact Mass431.10
IUPAC Name4-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc2c(NC(=O)c3scnc3C)nn(Cc3ccc(C(F)(F)F)cc3)c2n1
InChIInChI=1S/C20H16F3N5OS/c1-11-3-8-15-17(26-19(29)16-12(2)24-10-30-16)27-28(18(15)25-11)9-13-4-6-14(7-5-13)20(21,22)23/h3-8,10H,9H2,1-2H3,(H,26,27,29)
InChIKeyBPKJDMHTAWTIJX-UHFFFAOYSA-N
XLogP4.82
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 118537216
N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl)-4-methyl-2-(pyridin-4-yl) thiazole-5-carboxamide
CID 118538772
US9550778, chem-us-00187
CID 121263121
US9550778, chem-us-00216
CID 121263181
N-(1,3-benzothiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16390934
1-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 17406258
4-[[[4-(6-Methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]amino]methyl]benzamide
CID 70689070
3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 15945543
N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1221216
5-Amino-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (2-methyl-4-o-tolyl-thiazol-5-yl)-amide
CID 58063108
US10030016, Example 273
CID 68160568
N-[1-(4-methylphenyl)-3-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68327884

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-thiazole-5-carboxamide (CID 118335591) is 4-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-thiazole-5-carboxamide is Cc1ccc2c(NC(=O)c3scnc3C)nn(Cc3ccc(C(F)(F)F)cc3)c2n1.
What is the InChIKey of 4-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is BPKJDMHTAWTIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5OS/c1-11-3-8-15-17(26-19(29)16-12(2)24-10-30-16)27-28(18(15)25-11)9-13-4-6-14(7-5-13)20(21,22)23/h3-8,10H,9H2,1-2H3,(H,26,27,29).
What are the key properties of 4-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 431.44 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118335591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).