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

C20H22N6OS — CID 146343637

IUPAC6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESO=C1c2cncnc2CCN1CCN1CCN(c2nsc3ccccc23)CC1
InChIInChI=1S/C20H22N6OS/c27-20-16-13-21-14-22-17(16)5-6-26(20)12-9-24-7-10-25(11-8-24)19-15-3-1-2-4-18(15)28-23-19/h1-4,13-14H,5-12H2
InChIKeyHSLNVWLELBRHSX-UHFFFAOYSA-N
MW394.50 g/mol
LogP1.91
Rot. Bonds4

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

6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (PubChem CID 146343637) has the molecular formula C20H22N6OS and a molecular weight of 394.50 g/mol. Its IUPAC name is 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
PubChem CID146343637
Molecular FormulaC20H22N6OS
Molecular Weight394.50 g/mol
Exact Mass394.16
IUPAC Name6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESO=C1c2cncnc2CCN1CCN1CCN(c2nsc3ccccc23)CC1
InChIInChI=1S/C20H22N6OS/c27-20-16-13-21-14-22-17(16)5-6-26(20)12-9-24-7-10-25(11-8-24)19-15-3-1-2-4-18(15)28-23-19/h1-4,13-14H,5-12H2
InChIKeyHSLNVWLELBRHSX-UHFFFAOYSA-N
XLogP1.91
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 51.91
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]-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]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (CID 146343637) is 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-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]-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]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is O=C1c2cncnc2CCN1CCN1CCN(c2nsc3ccccc23)CC1.
What is the InChIKey of 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The InChIKey is HSLNVWLELBRHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6OS/c27-20-16-13-21-14-22-17(16)5-6-26(20)12-9-24-7-10-25(11-8-24)19-15-3-1-2-4-18(15)28-23-19/h1-4,13-14H,5-12H2.
What are the key properties of 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one has a molecular weight of 394.50 g/mol, XLogP of 1.91, 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]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 146343637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).