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

C22H21N5OS — CID 24586345

IUPACN-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)Nc3nc(-c4ccc5c(c4)CCC5)cs3)cnc21
InChIInChI=1S/C22H21N5OS/c1-13(2)27-20-17(11-24-27)9-18(10-23-20)21(28)26-22-25-19(12-29-22)16-7-6-14-4-3-5-15(14)8-16/h6-13H,3-5H2,1-2H3,(H,25,26,28)
InChIKeyIPOJVEPKWOTKTD-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.88
Rot. Bonds4

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

N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 24586345) has the molecular formula C22H21N5OS and a molecular weight of 403.51 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID24586345
Molecular FormulaC22H21N5OS
Molecular Weight403.51 g/mol
Exact Mass403.15
IUPAC NameN-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)Nc3nc(-c4ccc5c(c4)CCC5)cs3)cnc21
InChIInChI=1S/C22H21N5OS/c1-13(2)27-20-17(11-24-27)9-18(10-23-20)21(28)26-22-25-19(12-29-22)16-7-6-14-4-3-5-15(14)8-16/h6-13H,3-5H2,1-2H3,(H,25,26,28)
InChIKeyIPOJVEPKWOTKTD-UHFFFAOYSA-N
XLogP4.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 25492248
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 25477912
6-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 30289372
6-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41487402
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 24569835
4-nitro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 3324049
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581596
2,6-dimethoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 5074710
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)acetamide
CID 35804890
N-[1-oxo-1-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]propan-2-yl]benzamide
CID 4555376
5-chloro-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 36771979
7-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 3400328

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 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) is N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)n1ncc2cc(C(=O)Nc3nc(-c4ccc5c(c4)CCC5)cs3)cnc21.
What is the InChIKey of N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is IPOJVEPKWOTKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5OS/c1-13(2)27-20-17(11-24-27)9-18(10-23-20)21(28)26-22-25-19(12-29-22)16-7-6-14-4-3-5-15(14)8-16/h6-13H,3-5H2,1-2H3,(H,25,26,28).
What are the key properties of N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 24586345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).