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

C18H18N6OS — CID 156888736

IUPAC5-(2-methylindazol-5-yl)-2-piperidin-4-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCn1cc2cc(-c3nc4sc(C5CCNCC5)nc4c(=O)[nH]3)ccc2n1
InChIInChI=1S/C18H18N6OS/c1-24-9-12-8-11(2-3-13(12)23-24)15-21-16(25)14-18(22-15)26-17(20-14)10-4-6-19-7-5-10/h2-3,8-10,19H,4-7H2,1H3,(H,21,22,25)
InChIKeyPZHNZEBRYUYGHN-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.40
Rot. Bonds2

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

5-(2-methylindazol-5-yl)-2-piperidin-4-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (PubChem CID 156888736) has the molecular formula C18H18N6OS and a molecular weight of 366.45 g/mol. Its IUPAC name is 5-(2-methylindazol-5-yl)-2-piperidin-4-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2-methylindazol-5-yl)-2-piperidin-4-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
PubChem CID156888736
Molecular FormulaC18H18N6OS
Molecular Weight366.45 g/mol
Exact Mass366.13
IUPAC Name5-(2-methylindazol-5-yl)-2-piperidin-4-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCn1cc2cc(-c3nc4sc(C5CCNCC5)nc4c(=O)[nH]3)ccc2n1
InChIInChI=1S/C18H18N6OS/c1-24-9-12-8-11(2-3-13(12)23-24)15-21-16(25)14-18(22-15)26-17(20-14)10-4-6-19-7-5-10/h2-3,8-10,19H,4-7H2,1H3,(H,21,22,25)
InChIKeyPZHNZEBRYUYGHN-UHFFFAOYSA-N
XLogP2.40
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylindazol-5-yl)-2-piperidin-4-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The IUPAC name of 5-(2-methylindazol-5-yl)-2-piperidin-4-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (CID 156888736) is 5-(2-methylindazol-5-yl)-2-piperidin-4-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.
What is the SMILES notation for 5-(2-methylindazol-5-yl)-2-piperidin-4-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The canonical SMILES for 5-(2-methylindazol-5-yl)-2-piperidin-4-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is Cn1cc2cc(-c3nc4sc(C5CCNCC5)nc4c(=O)[nH]3)ccc2n1.
What is the InChIKey of 5-(2-methylindazol-5-yl)-2-piperidin-4-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The InChIKey is PZHNZEBRYUYGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6OS/c1-24-9-12-8-11(2-3-13(12)23-24)15-21-16(25)14-18(22-15)26-17(20-14)10-4-6-19-7-5-10/h2-3,8-10,19H,4-7H2,1H3,(H,21,22,25).
What are the key properties of 5-(2-methylindazol-5-yl)-2-piperidin-4-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
5-(2-methylindazol-5-yl)-2-piperidin-4-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one has a molecular weight of 366.45 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylindazol-5-yl)-2-piperidin-4-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is sourced from PubChem (CID 156888736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).