3-chloro-2-(2-methylthieno[3,2-b]pyridin-7-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C14H11ClN4OS — CID 163235372

IUPAC3-chloro-2-(2-methylthieno[3,2-b]pyridin-7-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2nccc(-c3nn4c(c3Cl)C(=O)NCC4)c2s1
InChIInChI=1S/C14H11ClN4OS/c1-7-6-9-13(21-7)8(2-3-16-9)11-10(15)12-14(20)17-4-5-19(12)18-11/h2-3,6H,4-5H2,1H3,(H,17,20)
InChIKeyCRTAUPTXJZOFCC-UHFFFAOYSA-N
MW318.79 g/mol
LogP2.87
Rot. Bonds1

About 3-chloro-2-(2-methylthieno[3,2-b]pyridin-7-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

3-chloro-2-(2-methylthieno[3,2-b]pyridin-7-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 163235372) has the molecular formula C14H11ClN4OS and a molecular weight of 318.79 g/mol. Its IUPAC name is 3-chloro-2-(2-methylthieno[3,2-b]pyridin-7-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name3-chloro-2-(2-methylthieno[3,2-b]pyridin-7-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID163235372
Molecular FormulaC14H11ClN4OS
Molecular Weight318.79 g/mol
Exact Mass318.03
IUPAC Name3-chloro-2-(2-methylthieno[3,2-b]pyridin-7-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2nccc(-c3nn4c(c3Cl)C(=O)NCC4)c2s1
InChIInChI=1S/C14H11ClN4OS/c1-7-6-9-13(21-7)8(2-3-16-9)11-10(15)12-14(20)17-4-5-19(12)18-11/h2-3,6H,4-5H2,1H3,(H,17,20)
InChIKeyCRTAUPTXJZOFCC-UHFFFAOYSA-N
XLogP2.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-methylthieno[3,2-b]pyridin-7-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 3-chloro-2-(2-methylthieno[3,2-b]pyridin-7-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 163235372) is 3-chloro-2-(2-methylthieno[3,2-b]pyridin-7-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 3-chloro-2-(2-methylthieno[3,2-b]pyridin-7-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 3-chloro-2-(2-methylthieno[3,2-b]pyridin-7-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is Cc1cc2nccc(-c3nn4c(c3Cl)C(=O)NCC4)c2s1.
What is the InChIKey of 3-chloro-2-(2-methylthieno[3,2-b]pyridin-7-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is CRTAUPTXJZOFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4OS/c1-7-6-9-13(21-7)8(2-3-16-9)11-10(15)12-14(20)17-4-5-19(12)18-11/h2-3,6H,4-5H2,1H3,(H,17,20).
What are the key properties of 3-chloro-2-(2-methylthieno[3,2-b]pyridin-7-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
3-chloro-2-(2-methylthieno[3,2-b]pyridin-7-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 318.79 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-methylthieno[3,2-b]pyridin-7-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 163235372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).