6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one

C21H24N6OS — CID 146344046

IUPAC6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESCc1ncc2c(n1)CCN(CCN1CCN(c3nsc4ccccc34)CC1)C2=O
InChIInChI=1S/C21H24N6OS/c1-15-22-14-17-18(23-15)6-7-27(21(17)28)13-10-25-8-11-26(12-9-25)20-16-4-2-3-5-19(16)29-24-20/h2-5,14H,6-13H2,1H3
InChIKeyIHNPMHXPTLSBQS-UHFFFAOYSA-N
MW408.53 g/mol
LogP2.22
Rot. Bonds4

About 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one

6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (PubChem CID 146344046) has the molecular formula C21H24N6OS and a molecular weight of 408.53 g/mol. Its IUPAC name is 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
PubChem CID146344046
Molecular FormulaC21H24N6OS
Molecular Weight408.53 g/mol
Exact Mass408.17
IUPAC Name6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESCc1ncc2c(n1)CCN(CCN1CCN(c3nsc4ccccc34)CC1)C2=O
InChIInChI=1S/C21H24N6OS/c1-15-22-14-17-18(23-15)6-7-27(21(17)28)13-10-25-8-11-26(12-9-25)20-16-4-2-3-5-19(16)29-24-20/h2-5,14H,6-13H2,1H3
InChIKeyIHNPMHXPTLSBQS-UHFFFAOYSA-N
XLogP2.22
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (CID 146344046) is 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is Cc1ncc2c(n1)CCN(CCN1CCN(c3nsc4ccccc34)CC1)C2=O.
What is the InChIKey of 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The InChIKey is IHNPMHXPTLSBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6OS/c1-15-22-14-17-18(23-15)6-7-27(21(17)28)13-10-25-8-11-26(12-9-25)20-16-4-2-3-5-19(16)29-24-20/h2-5,14H,6-13H2,1H3.
What are the key properties of 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one has a molecular weight of 408.53 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 146344046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).