4-chloro-3-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide

C20H15ClF3N5OS — CID 122458524

IUPAC4-chloro-3-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1cnc(Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(C(F)(F)F)cc4)cnc32)s1
InChIInChI=1S/C20H15ClF3N5OS/c1-10-7-25-15(31-10)9-29-18-16(11(2)28-29)17(21)14(8-26-18)19(30)27-13-5-3-12(4-6-13)20(22,23)24/h3-8H,9H2,1-2H3,(H,27,30)
InChIKeyIFQICXCRHGCAGV-UHFFFAOYSA-N
MW465.89 g/mol
LogP5.48
Rot. Bonds4

About 4-chloro-3-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-3-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 122458524) has the molecular formula C20H15ClF3N5OS and a molecular weight of 465.89 g/mol. Its IUPAC name is 4-chloro-3-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-3-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID122458524
Molecular FormulaC20H15ClF3N5OS
Molecular Weight465.89 g/mol
Exact Mass465.06
IUPAC Name4-chloro-3-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1cnc(Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(C(F)(F)F)cc4)cnc32)s1
InChIInChI=1S/C20H15ClF3N5OS/c1-10-7-25-15(31-10)9-29-18-16(11(2)28-29)17(21)14(8-26-18)19(30)27-13-5-3-12(4-6-13)20(22,23)24/h3-8H,9H2,1-2H3,(H,27,30)
InChIKeyIFQICXCRHGCAGV-UHFFFAOYSA-N
XLogP5.48
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.89
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-3-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-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 4-chloro-3-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-3-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 122458524) is 4-chloro-3-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-3-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-3-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1cnc(Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(C(F)(F)F)cc4)cnc32)s1.
What is the InChIKey of 4-chloro-3-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is IFQICXCRHGCAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N5OS/c1-10-7-25-15(31-10)9-29-18-16(11(2)28-29)17(21)14(8-26-18)19(30)27-13-5-3-12(4-6-13)20(22,23)24/h3-8H,9H2,1-2H3,(H,27,30).
What are the key properties of 4-chloro-3-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-3-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 465.89 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 122458524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).