1-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

C17H19N5OS — CID 17406258

IUPAC1-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)Nc3nc4c(s3)CCCC4)cnc21
InChIInChI=1S/C17H19N5OS/c1-10(2)22-15-11(9-19-22)7-12(8-18-15)16(23)21-17-20-13-5-3-4-6-14(13)24-17/h7-10H,3-6H2,1-2H3,(H,20,21,23)
InChIKeyVCWKGIFFUBBLTA-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.60
Rot. Bonds3

About 1-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

1-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 17406258) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID17406258
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name1-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)Nc3nc4c(s3)CCCC4)cnc21
InChIInChI=1S/C17H19N5OS/c1-10(2)22-15-11(9-19-22)7-12(8-18-15)16(23)21-17-20-13-5-3-4-6-14(13)24-17/h7-10H,3-6H2,1-2H3,(H,20,21,23)
InChIKeyVCWKGIFFUBBLTA-UHFFFAOYSA-N
XLogP3.60
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 17406258) is 1-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)n1ncc2cc(C(=O)Nc3nc4c(s3)CCCC4)cnc21.
What is the InChIKey of 1-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is VCWKGIFFUBBLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-10(2)22-15-11(9-19-22)7-12(8-18-15)16(23)21-17-20-13-5-3-4-6-14(13)24-17/h7-10H,3-6H2,1-2H3,(H,20,21,23).
What are the key properties of 1-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
1-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 17406258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).