N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

C17H21N5OS — CID 19590294

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc(C)c(C)s2)c2c(C)nn(C(C)C)c2n1
InChIInChI=1S/C17H21N5OS/c1-8(2)22-15-14(11(5)21-22)13(7-9(3)18-15)16(23)20-17-19-10(4)12(6)24-17/h7-8H,1-6H3,(H,19,20,23)
InChIKeyJSWGEGZELBOORR-UHFFFAOYSA-N
MW343.46 g/mol
LogP3.95
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 19590294) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID19590294
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc(C)c(C)s2)c2c(C)nn(C(C)C)c2n1
InChIInChI=1S/C17H21N5OS/c1-8(2)22-15-14(11(5)21-22)13(7-9(3)18-15)16(23)20-17-19-10(4)12(6)24-17/h7-8H,1-6H3,(H,19,20,23)
InChIKeyJSWGEGZELBOORR-UHFFFAOYSA-N
XLogP3.95
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 19590294) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2nc(C)c(C)s2)c2c(C)nn(C(C)C)c2n1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is JSWGEGZELBOORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-8(2)22-15-14(11(5)21-22)13(7-9(3)18-15)16(23)20-17-19-10(4)12(6)24-17/h7-8H,1-6H3,(H,19,20,23).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 343.46 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 19590294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).