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

C19H26N6OS — CID 155903315

IUPAC5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3,3a,6,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridin-4-one
SMILESO=C1C2CNNC2CCN1CCN1CCN(c2nsc3ccccc23)CC1
InChIInChI=1S/C19H26N6OS/c26-19-15-13-20-21-16(15)5-6-25(19)12-9-23-7-10-24(11-8-23)18-14-3-1-2-4-17(14)27-22-18/h1-4,15-16,20-21H,5-13H2
InChIKeyKNABMQOLWSELFL-UHFFFAOYSA-N
MW386.53 g/mol
LogP0.74
Rot. Bonds4

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

5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3,3a,6,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridin-4-one (PubChem CID 155903315) has the molecular formula C19H26N6OS and a molecular weight of 386.53 g/mol. Its IUPAC name is 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3,3a,6,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3,3a,6,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridin-4-one
PubChem CID155903315
Molecular FormulaC19H26N6OS
Molecular Weight386.53 g/mol
Exact Mass386.19
IUPAC Name5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3,3a,6,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridin-4-one
SMILESO=C1C2CNNC2CCN1CCN1CCN(c2nsc3ccccc23)CC1
InChIInChI=1S/C19H26N6OS/c26-19-15-13-20-21-16(15)5-6-25(19)12-9-23-7-10-24(11-8-23)18-14-3-1-2-4-17(14)27-22-18/h1-4,15-16,20-21H,5-13H2
InChIKeyKNABMQOLWSELFL-UHFFFAOYSA-N
XLogP0.74
TPSA63.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3,3a,6,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridin-4-one with MolForge

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Related Compounds

5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-methyl-6,7-dihydropyrrolo[3,2-c]pyridin-4-one
CID 146344036
2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethanamine
CID 66801585
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-methyl-6,7-dihydroimidazo[4,5-c]pyridin-4-one
CID 146343639
(3aR,4S,7R,7aS)-2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 10599242
7-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one
CID 170960938
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-methyl-7,8-dihydro-6H-pyrazolo[4,5-c]azepin-4-one
CID 146343562
7-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1,3-dimethyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one
CID 170960944
2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-3H-isoindol-1-one
CID 67836068
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-3-methyl-7,8-dihydro-6H-[1,2]oxazolo[4,5-c]azepin-4-one
CID 146344645
3-[4-[4-(3-methyl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-1-yl)butyl]piperazin-1-yl]-1,2-benzothiazole
CID 174338775
7-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-methyl-5,6-dihydro-4H-pyrazolo[5,4-c]azepin-8-one
CID 146343571
(3aR,7aR)-2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-7a-hydroxy-4,5,6,7-tetrahydro-3aH-isoindole-1,3-dione
CID 102254147

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3,3a,6,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3,3a,6,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridin-4-one (CID 155903315) is 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3,3a,6,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3,3a,6,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3,3a,6,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridin-4-one is O=C1C2CNNC2CCN1CCN1CCN(c2nsc3ccccc23)CC1.
What is the InChIKey of 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3,3a,6,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridin-4-one?
The InChIKey is KNABMQOLWSELFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6OS/c26-19-15-13-20-21-16(15)5-6-25(19)12-9-23-7-10-24(11-8-23)18-14-3-1-2-4-17(14)27-22-18/h1-4,15-16,20-21H,5-13H2.
What are the key properties of 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3,3a,6,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridin-4-one?
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3,3a,6,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridin-4-one has a molecular weight of 386.53 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 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]-2,3,3a,6,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 155903315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).