N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C19H15F2N5OS — CID 25492248

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)cnc21
InChIInChI=1S/C19H15F2N5OS/c1-10(2)26-17-12(8-23-26)5-13(7-22-17)18(27)25-19-24-16(9-28-19)11-3-4-14(20)15(21)6-11/h3-10H,1-2H3,(H,24,25,27)
InChIKeyREBARVIIGCUEQG-UHFFFAOYSA-N
MW399.43 g/mol
LogP4.67
Rot. Bonds4

About N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 25492248) has the molecular formula C19H15F2N5OS and a molecular weight of 399.43 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID25492248
Molecular FormulaC19H15F2N5OS
Molecular Weight399.43 g/mol
Exact Mass399.10
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)cnc21
InChIInChI=1S/C19H15F2N5OS/c1-10(2)26-17-12(8-23-26)5-13(7-22-17)18(27)25-19-24-16(9-28-19)11-3-4-14(20)15(21)6-11/h3-10H,1-2H3,(H,24,25,27)
InChIKeyREBARVIIGCUEQG-UHFFFAOYSA-N
XLogP4.67
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 25477912
4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4034255
6-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41487402
5-bromo-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 3998198
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 16820840
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 7742220
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-ethylsulfonylbenzamide
CID 16820846
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581596
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide
CID 16910435
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 62045979
N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 46523701

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 25492248) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)n1ncc2cc(C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)cnc21.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is REBARVIIGCUEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5OS/c1-10(2)26-17-12(8-23-26)5-13(7-22-17)18(27)25-19-24-16(9-28-19)11-3-4-14(20)15(21)6-11/h3-10H,1-2H3,(H,24,25,27).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 399.43 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 25492248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).