5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one

C20H24N6OS — CID 146343467

IUPAC5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESCn1cc2c(n1)CCN(CCN1CCN(c3nsc4ccccc34)CC1)C2=O
InChIInChI=1S/C20H24N6OS/c1-23-14-16-17(21-23)6-7-26(20(16)27)13-10-24-8-11-25(12-9-24)19-15-4-2-3-5-18(15)28-22-19/h2-5,14H,6-13H2,1H3
InChIKeySMLCPNKOWBEDFF-UHFFFAOYSA-N
MW396.52 g/mol
LogP1.85
Rot. Bonds4

About 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one

5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (PubChem CID 146343467) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
PubChem CID146343467
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC Name5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESCn1cc2c(n1)CCN(CCN1CCN(c3nsc4ccccc34)CC1)C2=O
InChIInChI=1S/C20H24N6OS/c1-23-14-16-17(21-23)6-7-26(20(16)27)13-10-24-8-11-25(12-9-24)19-15-4-2-3-5-18(15)28-22-19/h2-5,14H,6-13H2,1H3
InChIKeySMLCPNKOWBEDFF-UHFFFAOYSA-N
XLogP1.85
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (CID 146343467) is 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is Cn1cc2c(n1)CCN(CCN1CCN(c3nsc4ccccc34)CC1)C2=O.
What is the InChIKey of 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The InChIKey is SMLCPNKOWBEDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-23-14-16-17(21-23)6-7-26(20(16)27)13-10-24-8-11-25(12-9-24)19-15-4-2-3-5-18(15)28-22-19/h2-5,14H,6-13H2,1H3.
What are the key properties of 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one has a molecular weight of 396.52 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 146343467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).