3-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine

C19H18N4O3S — CID 59662513

IUPAC3-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1cc(Nc2ccn3ncc(-c4cccs4)c3n2)cc(OC)c1OC
InChIInChI=1S/C19H18N4O3S/c1-24-14-9-12(10-15(25-2)18(14)26-3)21-17-6-7-23-19(22-17)13(11-20-23)16-5-4-8-27-16/h4-11H,1-3H3,(H,21,22)
InChIKeySIMBWSNBUVPFLM-UHFFFAOYSA-N
MW382.45 g/mol
LogP4.23
Rot. Bonds6

About 3-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine

3-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 59662513) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 3-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID59662513
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name3-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1cc(Nc2ccn3ncc(-c4cccs4)c3n2)cc(OC)c1OC
InChIInChI=1S/C19H18N4O3S/c1-24-14-9-12(10-15(25-2)18(14)26-3)21-17-6-7-23-19(22-17)13(11-20-23)16-5-4-8-27-16/h4-11H,1-3H3,(H,21,22)
InChIKeySIMBWSNBUVPFLM-UHFFFAOYSA-N
XLogP4.23
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 59662513) is 3-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine is COc1cc(Nc2ccn3ncc(-c4cccs4)c3n2)cc(OC)c1OC.
What is the InChIKey of 3-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is SIMBWSNBUVPFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-24-14-9-12(10-15(25-2)18(14)26-3)21-17-6-7-23-19(22-17)13(11-20-23)16-5-4-8-27-16/h4-11H,1-3H3,(H,21,22).
What are the key properties of 3-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
3-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 382.45 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 59662513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).