7-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H17N5OS — CID 91843308

IUPAC7-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1n[nH]c2c1CN(Cc1cc(=O)n3ccsc3n1)CC2
InChIInChI=1S/C15H17N5OS/c1-2-12-11-9-19(4-3-13(11)18-17-12)8-10-7-14(21)20-5-6-22-15(20)16-10/h5-7H,2-4,8-9H2,1H3,(H,17,18)
InChIKeyAPDFNELPEJATQL-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.60
Rot. Bonds3

About 7-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 91843308) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 7-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID91843308
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name7-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1n[nH]c2c1CN(Cc1cc(=O)n3ccsc3n1)CC2
InChIInChI=1S/C15H17N5OS/c1-2-12-11-9-19(4-3-13(11)18-17-12)8-10-7-14(21)20-5-6-22-15(20)16-10/h5-7H,2-4,8-9H2,1H3,(H,17,18)
InChIKeyAPDFNELPEJATQL-UHFFFAOYSA-N
XLogP1.60
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

3-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51104475
7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 53588082
3-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 71927061
7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 71927073
2-methyl-7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 75373905
7-{[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91828594
7-{[methyl(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)amino]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91832044
7-{[(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)(methyl)amino]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91832322
7-{[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amino]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91833024
2-methyl-7-({methyl[(5-propyl-1H-pyrazol-3-yl)methyl]amino}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91835506
7-{[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl](methyl)amino]methyl}-2-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91836794
7-{[methyl(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)amino]methyl}-2-(methylthio)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 91838769

Frequently Asked Questions

What is the IUPAC name of 7-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 91843308) is 7-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCc1n[nH]c2c1CN(Cc1cc(=O)n3ccsc3n1)CC2.
What is the InChIKey of 7-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is APDFNELPEJATQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-2-12-11-9-19(4-3-13(11)18-17-12)8-10-7-14(21)20-5-6-22-15(20)16-10/h5-7H,2-4,8-9H2,1H3,(H,17,18).
What are the key properties of 7-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 315.40 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 91843308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).