6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-propan-2-ylpyrido[4,3-d]pyrimidin-5-one

C23H26N6OS — CID 146344673

IUPAC6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-propan-2-ylpyrido[4,3-d]pyrimidin-5-one
SMILESCC(C)c1ncc2c(=O)n(CCN3CCN(c4nsc5ccccc45)CC3)ccc2n1
InChIInChI=1S/C23H26N6OS/c1-16(2)21-24-15-18-19(25-21)7-8-29(23(18)30)14-11-27-9-12-28(13-10-27)22-17-5-3-4-6-20(17)31-26-22/h3-8,15-16H,9-14H2,1-2H3
InChIKeyJLQPTMGFAHZJJQ-UHFFFAOYSA-N
MW434.57 g/mol
LogP3.35
Rot. Bonds5

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

6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-propan-2-ylpyrido[4,3-d]pyrimidin-5-one (PubChem CID 146344673) has the molecular formula C23H26N6OS and a molecular weight of 434.57 g/mol. Its IUPAC name is 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-propan-2-ylpyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-propan-2-ylpyrido[4,3-d]pyrimidin-5-one
PubChem CID146344673
Molecular FormulaC23H26N6OS
Molecular Weight434.57 g/mol
Exact Mass434.19
IUPAC Name6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-propan-2-ylpyrido[4,3-d]pyrimidin-5-one
SMILESCC(C)c1ncc2c(=O)n(CCN3CCN(c4nsc5ccccc45)CC3)ccc2n1
InChIInChI=1S/C23H26N6OS/c1-16(2)21-24-15-18-19(25-21)7-8-29(23(18)30)14-11-27-9-12-28(13-10-27)22-17-5-3-4-6-20(17)31-26-22/h3-8,15-16H,9-14H2,1-2H3
InChIKeyJLQPTMGFAHZJJQ-UHFFFAOYSA-N
XLogP3.35
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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-propan-2-ylpyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-propan-2-ylpyrido[4,3-d]pyrimidin-5-one (CID 146344673) is 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-propan-2-ylpyrido[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-propan-2-ylpyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-propan-2-ylpyrido[4,3-d]pyrimidin-5-one is CC(C)c1ncc2c(=O)n(CCN3CCN(c4nsc5ccccc45)CC3)ccc2n1.
What is the InChIKey of 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-propan-2-ylpyrido[4,3-d]pyrimidin-5-one?
The InChIKey is JLQPTMGFAHZJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6OS/c1-16(2)21-24-15-18-19(25-21)7-8-29(23(18)30)14-11-27-9-12-28(13-10-27)22-17-5-3-4-6-20(17)31-26-22/h3-8,15-16H,9-14H2,1-2H3.
What are the key properties of 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-propan-2-ylpyrido[4,3-d]pyrimidin-5-one?
6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-propan-2-ylpyrido[4,3-d]pyrimidin-5-one has a molecular weight of 434.57 g/mol, XLogP of 3.35, 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-propan-2-ylpyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 146344673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).