2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one

C18H19N7OS — CID 156888845

IUPAC2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCc1nc(-c2nc3ncn(C4CCNCC4)c(=O)c3s2)cc2cn(C)nc12
InChIInChI=1S/C18H19N7OS/c1-10-14-11(8-24(2)23-14)7-13(21-10)17-22-16-15(27-17)18(26)25(9-20-16)12-3-5-19-6-4-12/h7-9,12,19H,3-6H2,1-2H3
InChIKeyAMTVIESUTZZEKY-UHFFFAOYSA-N
MW381.47 g/mol
LogP2.03
Rot. Bonds2

About 2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one

2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 156888845) has the molecular formula C18H19N7OS and a molecular weight of 381.47 g/mol. Its IUPAC name is 2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID156888845
Molecular FormulaC18H19N7OS
Molecular Weight381.47 g/mol
Exact Mass381.14
IUPAC Name2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCc1nc(-c2nc3ncn(C4CCNCC4)c(=O)c3s2)cc2cn(C)nc12
InChIInChI=1S/C18H19N7OS/c1-10-14-11(8-24(2)23-14)7-13(21-10)17-22-16-15(27-17)18(26)25(9-20-16)12-3-5-19-6-4-12/h7-9,12,19H,3-6H2,1-2H3
InChIKeyAMTVIESUTZZEKY-UHFFFAOYSA-N
XLogP2.03
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 156888845) is 2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one is Cc1nc(-c2nc3ncn(C4CCNCC4)c(=O)c3s2)cc2cn(C)nc12.
What is the InChIKey of 2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is AMTVIESUTZZEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7OS/c1-10-14-11(8-24(2)23-14)7-13(21-10)17-22-16-15(27-17)18(26)25(9-20-16)12-3-5-19-6-4-12/h7-9,12,19H,3-6H2,1-2H3.
What are the key properties of 2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 381.47 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 156888845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).