5-(3-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl)-1,3-thiazole

C14H17N5S — CID 123133122

IUPAC5-(3-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl)-1,3-thiazole
SMILESc1ccc(C2NNC3CNC(c4cncs4)CC32)nc1
InChIInChI=1S/C14H17N5S/c1-2-4-16-10(3-1)14-9-5-11(13-7-15-8-20-13)17-6-12(9)18-19-14/h1-4,7-9,11-12,14,17-19H,5-6H2
InChIKeyPIRQMZPEWMCSIS-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.41
Rot. Bonds2

About 5-(3-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl)-1,3-thiazole

5-(3-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl)-1,3-thiazole (PubChem CID 123133122) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is 5-(3-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(3-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl)-1,3-thiazole
PubChem CID123133122
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name5-(3-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl)-1,3-thiazole
SMILESc1ccc(C2NNC3CNC(c4cncs4)CC32)nc1
InChIInChI=1S/C14H17N5S/c1-2-4-16-10(3-1)14-9-5-11(13-7-15-8-20-13)17-6-12(9)18-19-14/h1-4,7-9,11-12,14,17-19H,5-6H2
InChIKeyPIRQMZPEWMCSIS-UHFFFAOYSA-N
XLogP1.41
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl)-1,3-thiazole?
The IUPAC name of 5-(3-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl)-1,3-thiazole (CID 123133122) is 5-(3-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl)-1,3-thiazole.
What is the SMILES notation for 5-(3-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl)-1,3-thiazole?
The canonical SMILES for 5-(3-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl)-1,3-thiazole is c1ccc(C2NNC3CNC(c4cncs4)CC32)nc1.
What is the InChIKey of 5-(3-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl)-1,3-thiazole?
The InChIKey is PIRQMZPEWMCSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-2-4-16-10(3-1)14-9-5-11(13-7-15-8-20-13)17-6-12(9)18-19-14/h1-4,7-9,11-12,14,17-19H,5-6H2.
What are the key properties of 5-(3-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl)-1,3-thiazole?
5-(3-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl)-1,3-thiazole has a molecular weight of 287.39 g/mol, XLogP of 1.41, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl)-1,3-thiazole is sourced from PubChem (CID 123133122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).