N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H12N6O2S — CID 91819112

IUPACN-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCn1cnc2sccc2c1=O)c1cnn2cccnc12
InChIInChI=1S/C15H12N6O2S/c22-13(11-8-19-21-5-1-3-16-12(11)21)17-4-6-20-9-18-14-10(15(20)23)2-7-24-14/h1-3,5,7-9H,4,6H2,(H,17,22)
InChIKeyVGXDMBKYAZAXMT-UHFFFAOYSA-N
MW340.37 g/mol
LogP0.93
Rot. Bonds4

About N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 91819112) has the molecular formula C15H12N6O2S and a molecular weight of 340.37 g/mol. Its IUPAC name is N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID91819112
Molecular FormulaC15H12N6O2S
Molecular Weight340.37 g/mol
Exact Mass340.07
IUPAC NameN-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCn1cnc2sccc2c1=O)c1cnn2cccnc12
InChIInChI=1S/C15H12N6O2S/c22-13(11-8-19-21-5-1-3-16-12(11)21)17-4-6-20-9-18-14-10(15(20)23)2-7-24-14/h1-3,5,7-9H,4,6H2,(H,17,22)
InChIKeyVGXDMBKYAZAXMT-UHFFFAOYSA-N
XLogP0.93
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide
CID 47137735
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 51314616
5-tert-butyl-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 91632855
3-(2-methoxyphenyl)-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 91819120
6-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]hexanoic acid
CID 119220091
3-[2-(cyclopropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 61386927
3-[2-(prop-2-enylamino)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 62564362
2-[2-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]ethylsulfanyl]acetic acid
CID 119242258
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119448926
N-(furan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1252016
N-butyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9372669
N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 39467752

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 91819112) is N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCCn1cnc2sccc2c1=O)c1cnn2cccnc12.
What is the InChIKey of N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VGXDMBKYAZAXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2S/c22-13(11-8-19-21-5-1-3-16-12(11)21)17-4-6-20-9-18-14-10(15(20)23)2-7-24-14/h1-3,5,7-9H,4,6H2,(H,17,22).
What are the key properties of N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 340.37 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 91819112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).