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

C21H24N6O2S — CID 146343563

IUPAC6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methoxy-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESCOc1ncc2c(n1)CCN(CCN1CCN(c3nsc4ccccc34)CC1)C2=O
InChIInChI=1S/C21H24N6O2S/c1-29-21-22-14-16-17(23-21)6-7-27(20(16)28)13-10-25-8-11-26(12-9-25)19-15-4-2-3-5-18(15)30-24-19/h2-5,14H,6-13H2,1H3
InChIKeyQLNUKALDTXMUBS-UHFFFAOYSA-N
MW424.53 g/mol
LogP1.92
Rot. Bonds5

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

6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methoxy-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (PubChem CID 146343563) has the molecular formula C21H24N6O2S and a molecular weight of 424.53 g/mol. Its IUPAC name is 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methoxy-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-methoxy-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
PubChem CID146343563
Molecular FormulaC21H24N6O2S
Molecular Weight424.53 g/mol
Exact Mass424.17
IUPAC Name6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methoxy-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESCOc1ncc2c(n1)CCN(CCN1CCN(c3nsc4ccccc34)CC1)C2=O
InChIInChI=1S/C21H24N6O2S/c1-29-21-22-14-16-17(23-21)6-7-27(20(16)28)13-10-25-8-11-26(12-9-25)19-15-4-2-3-5-18(15)30-24-19/h2-5,14H,6-13H2,1H3
InChIKeyQLNUKALDTXMUBS-UHFFFAOYSA-N
XLogP1.92
TPSA74.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-nicotinamide
CID 10716504
4-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-nicotinamide
CID 11795852
11-Methyl-4-[2-(4-quinazolin-4-ylpiperazin-1-yl)ethyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 22464564
4-amino-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]pyridine-3-carboxamide;hydrochloride
CID 44531137
US10745401, Example 27
CID 146343549
US10745401, Example 172
CID 146343816
US10745401, Example 110
CID 146344007
7-{2-[4-(1,2-Benzoisothiazol-3-yl)piperazin-1-yl]ethyl}-8-oxo-5,6,7,8-tetrahydro-2,7-naphthyridine-3-carbonitrile
CID 146309246
US10745401, Example 108
CID 146343478
US10745401, Example 104
CID 146343615
US10745401, Example 56
CID 146343636
US10745401, Example 61
CID 146344036

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methoxy-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-methoxy-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (CID 146343563) is 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methoxy-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-methoxy-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-methoxy-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is COc1ncc2c(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-methoxy-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The InChIKey is QLNUKALDTXMUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2S/c1-29-21-22-14-16-17(23-21)6-7-27(20(16)28)13-10-25-8-11-26(12-9-25)19-15-4-2-3-5-18(15)30-24-19/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-methoxy-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methoxy-7,8-dihydropyrido[4,3-d]pyrimidin-5-one has a molecular weight of 424.53 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 8 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-methoxy-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 146343563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).