4-methyl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]-1,3-thiazole-5-carboxamide

C17H20N6OS — CID 110242086

IUPAC4-methyl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCCn1nc(C2CCNC2)c2cccnc21
InChIInChI=1S/C17H20N6OS/c1-11-15(25-10-21-11)17(24)20-7-8-23-16-13(3-2-5-19-16)14(22-23)12-4-6-18-9-12/h2-3,5,10,12,18H,4,6-9H2,1H3,(H,20,24)
InChIKeyITLDHPYTORFVTL-UHFFFAOYSA-N
MW356.46 g/mol
LogP1.70
Rot. Bonds5

About 4-methyl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]-1,3-thiazole-5-carboxamide

4-methyl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 110242086) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 4-methyl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID110242086
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name4-methyl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCCn1nc(C2CCNC2)c2cccnc21
InChIInChI=1S/C17H20N6OS/c1-11-15(25-10-21-11)17(24)20-7-8-23-16-13(3-2-5-19-16)14(22-23)12-4-6-18-9-12/h2-3,5,10,12,18H,4,6-9H2,1H3,(H,20,24)
InChIKeyITLDHPYTORFVTL-UHFFFAOYSA-N
XLogP1.70
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 110242086) is 4-methyl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCCn1nc(C2CCNC2)c2cccnc21.
What is the InChIKey of 4-methyl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ITLDHPYTORFVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-11-15(25-10-21-11)17(24)20-7-8-23-16-13(3-2-5-19-16)14(22-23)12-4-6-18-9-12/h2-3,5,10,12,18H,4,6-9H2,1H3,(H,20,24).
What are the key properties of 4-methyl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 356.46 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110242086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).