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

C18H18N6OS — CID 156888103

IUPAC2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCn1cc2cc(-c3nc4c(=O)n(C5CCNCC5)cnc4s3)ccc2n1
InChIInChI=1S/C18H18N6OS/c1-23-9-12-8-11(2-3-14(12)22-23)16-21-15-17(26-16)20-10-24(18(15)25)13-4-6-19-7-5-13/h2-3,8-10,13,19H,4-7H2,1H3
InChIKeyPJBYZBOIRANMFU-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.33
Rot. Bonds2

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

2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one (PubChem CID 156888103) has the molecular formula C18H18N6OS and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one
PubChem CID156888103
Molecular FormulaC18H18N6OS
Molecular Weight366.45 g/mol
Exact Mass366.13
IUPAC Name2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCn1cc2cc(-c3nc4c(=O)n(C5CCNCC5)cnc4s3)ccc2n1
InChIInChI=1S/C18H18N6OS/c1-23-9-12-8-11(2-3-14(12)22-23)16-21-15-17(26-16)20-10-24(18(15)25)13-4-6-19-7-5-13/h2-3,8-10,13,19H,4-7H2,1H3
InChIKeyPJBYZBOIRANMFU-UHFFFAOYSA-N
XLogP2.33
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The IUPAC name of 2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one (CID 156888103) is 2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one.
What is the SMILES notation for 2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The canonical SMILES for 2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one is Cn1cc2cc(-c3nc4c(=O)n(C5CCNCC5)cnc4s3)ccc2n1.
What is the InChIKey of 2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The InChIKey is PJBYZBOIRANMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6OS/c1-23-9-12-8-11(2-3-14(12)22-23)16-21-15-17(26-16)20-10-24(18(15)25)13-4-6-19-7-5-13/h2-3,8-10,13,19H,4-7H2,1H3.
What are the key properties of 2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one has a molecular weight of 366.45 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one is sourced from PubChem (CID 156888103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).