5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-4-ol

C21H28N6OS — CID 146344648

About 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-4-ol

5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-4-ol (PubChem CID 146344648) has the molecular formula C21H28N6OS and a molecular weight of 412.56 g/mol. Its IUPAC name is 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-4-ol.

Molecular Properties

• Compound Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-4-ol
• PubChem CID: 146344648
• Molecular Formula: C21H28N6OS
• Molecular Weight: 412.56 g/mol
• Exact Mass: 412.20
• IUPAC Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-4-ol
• SMILES: CCn1ncc2c1CCN(CCN1CCN(c3nsc4ccccc34)CC1)C2O
• InChI: InChI=1S/C21H28N6OS/c1-2-27-18-7-8-26(21(28)17(18)15-22-27)14-11-24-9-12-25(13-10-24)20-16-5-3-4-6-19(16)29-23-20/h3-6,15,21,28H,2,7-14H2,1H3
• InChIKey: CSJPIGCKWDBQAQ-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 60.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.56
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-4-ol?

The IUPAC name of 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-4-ol (CID 146344648) is 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-4-ol.

What is the SMILES notation for 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-4-ol?

The canonical SMILES for 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-4-ol is CCn1ncc2c1CCN(CCN1CCN(c3nsc4ccccc34)CC1)C2O.

What is the InChIKey of 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-4-ol?

The InChIKey is CSJPIGCKWDBQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6OS/c1-2-27-18-7-8-26(21(28)17(18)15-22-27)14-11-24-9-12-25(13-10-24)20-16-5-3-4-6-19(16)29-23-20/h3-6,15,21,28H,2,7-14H2,1H3.

What are the key properties of 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-4-ol?

5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-4-ol has a molecular weight of 412.56 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-4-ol is sourced from PubChem (CID 146344648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).