N-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C23H17F3N6OS — CID 16581700

IUPACN-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)Nc3nc4nc(-c5ccccc5)cc(C(F)(F)F)c4s3)cnc21
InChIInChI=1S/C23H17F3N6OS/c1-12(2)32-20-14(11-28-32)8-15(10-27-20)21(33)31-22-30-19-18(34-22)16(23(24,25)26)9-17(29-19)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,29,30,31,33)
InChIKeyNPBZLRRPJOWRPZ-UHFFFAOYSA-N
MW482.49 g/mol
LogP5.95
Rot. Bonds4

About N-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 16581700) has the molecular formula C23H17F3N6OS and a molecular weight of 482.49 g/mol. Its IUPAC name is N-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID16581700
Molecular FormulaC23H17F3N6OS
Molecular Weight482.49 g/mol
Exact Mass482.11
IUPAC NameN-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)Nc3nc4nc(-c5ccccc5)cc(C(F)(F)F)c4s3)cnc21
InChIInChI=1S/C23H17F3N6OS/c1-12(2)32-20-14(11-28-32)8-15(10-27-20)21(33)31-22-30-19-18(34-22)16(23(24,25)26)9-17(29-19)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,29,30,31,33)
InChIKeyNPBZLRRPJOWRPZ-UHFFFAOYSA-N
XLogP5.95
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.49
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55688821
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581596
N-(2-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24583509
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 25477912
3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pyridine-2-carboxylic acid
CID 167884691
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 25492248
N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55781927
N-methyl-1-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 51112770
6-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27991476
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24586345
N-(5-tert-butyl-2-hydroxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46679706
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 29407607

Frequently Asked Questions

What is the IUPAC name of N-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 16581700) is N-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)n1ncc2cc(C(=O)Nc3nc4nc(-c5ccccc5)cc(C(F)(F)F)c4s3)cnc21.
What is the InChIKey of N-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is NPBZLRRPJOWRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6OS/c1-12(2)32-20-14(11-28-32)8-15(10-27-20)21(33)31-22-30-19-18(34-22)16(23(24,25)26)9-17(29-19)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,29,30,31,33).
What are the key properties of N-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 482.49 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 16581700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).