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

C22H26N6OS — CID 146344006

IUPAC6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-ethyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESCCc1ncc2c(n1)CCN(CCN1CCN(c3nsc4ccccc34)CC1)C2=O
InChIInChI=1S/C22H26N6OS/c1-2-20-23-15-17-18(24-20)7-8-28(22(17)29)14-11-26-9-12-27(13-10-26)21-16-5-3-4-6-19(16)30-25-21/h3-6,15H,2,7-14H2,1H3
InChIKeyPBXZWKMKQJSPNR-UHFFFAOYSA-N
MW422.56 g/mol
LogP2.47
Rot. Bonds5

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

6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-ethyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (PubChem CID 146344006) has the molecular formula C22H26N6OS and a molecular weight of 422.56 g/mol. Its IUPAC name is 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-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]-2-ethyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
PubChem CID146344006
Molecular FormulaC22H26N6OS
Molecular Weight422.56 g/mol
Exact Mass422.19
IUPAC Name6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-ethyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESCCc1ncc2c(n1)CCN(CCN1CCN(c3nsc4ccccc34)CC1)C2=O
InChIInChI=1S/C22H26N6OS/c1-2-20-23-15-17-18(24-20)7-8-28(22(17)29)14-11-26-9-12-27(13-10-26)21-16-5-3-4-6-19(16)30-25-21/h3-6,15H,2,7-14H2,1H3
InChIKeyPBXZWKMKQJSPNR-UHFFFAOYSA-N
XLogP2.47
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-nicotinamide
CID 10500912
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 36
CID 146343467
US10745401, Example 108
CID 146343478
US10745401, Example 104
CID 146343615

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-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]-2-ethyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (CID 146344006) is 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-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]-2-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]-2-ethyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is CCc1ncc2c(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-ethyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The InChIKey is PBXZWKMKQJSPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6OS/c1-2-20-23-15-17-18(24-20)7-8-28(22(17)29)14-11-26-9-12-27(13-10-26)21-16-5-3-4-6-19(16)30-25-21/h3-6,15H,2,7-14H2,1H3.
What are the key properties of 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-ethyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-ethyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one has a molecular weight of 422.56 g/mol, XLogP of 2.47, 5 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-ethyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 146344006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).