5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

C15H14N8S — CID 146448933

IUPAC5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCn1cc(-c2n[nH]c3cnc(N4CCc5ncsc5C4)nc23)cn1
InChIInChI=1S/C15H14N8S/c1-22-6-9(4-18-22)13-14-11(20-21-13)5-16-15(19-14)23-3-2-10-12(7-23)24-8-17-10/h4-6,8H,2-3,7H2,1H3,(H,20,21)
InChIKeySSQOEMOSGBXDKM-UHFFFAOYSA-N
MW338.40 g/mol
LogP1.77
Rot. Bonds2

About 5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 146448933) has the molecular formula C15H14N8S and a molecular weight of 338.40 g/mol. Its IUPAC name is 5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID146448933
Molecular FormulaC15H14N8S
Molecular Weight338.40 g/mol
Exact Mass338.11
IUPAC Name5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCn1cc(-c2n[nH]c3cnc(N4CCc5ncsc5C4)nc23)cn1
InChIInChI=1S/C15H14N8S/c1-22-6-9(4-18-22)13-14-11(20-21-13)5-16-15(19-14)23-3-2-10-12(7-23)24-8-17-10/h4-6,8H,2-3,7H2,1H3,(H,20,21)
InChIKeySSQOEMOSGBXDKM-UHFFFAOYSA-N
XLogP1.77
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 146448933) is 5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is Cn1cc(-c2n[nH]c3cnc(N4CCc5ncsc5C4)nc23)cn1.
What is the InChIKey of 5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is SSQOEMOSGBXDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8S/c1-22-6-9(4-18-22)13-14-11(20-21-13)5-16-15(19-14)23-3-2-10-12(7-23)24-8-17-10/h4-6,8H,2-3,7H2,1H3,(H,20,21).
What are the key properties of 5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 338.40 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 146448933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).