5-methyl-N-(pyridin-2-ylmethyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C17H15N5S — CID 122193381

IUPAC5-methyl-N-(pyridin-2-ylmethyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2ccccn2)n2ncc(-c3ccsc3)c2n1
InChIInChI=1S/C17H15N5S/c1-12-8-16(19-9-14-4-2-3-6-18-14)22-17(21-12)15(10-20-22)13-5-7-23-11-13/h2-8,10-11,19H,9H2,1H3
InChIKeyWEXWVSIEGMHDTL-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.77
Rot. Bonds4

About 5-methyl-N-(pyridin-2-ylmethyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-(pyridin-2-ylmethyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 122193381) has the molecular formula C17H15N5S and a molecular weight of 321.41 g/mol. Its IUPAC name is 5-methyl-N-(pyridin-2-ylmethyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-(pyridin-2-ylmethyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID122193381
Molecular FormulaC17H15N5S
Molecular Weight321.41 g/mol
Exact Mass321.10
IUPAC Name5-methyl-N-(pyridin-2-ylmethyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2ccccn2)n2ncc(-c3ccsc3)c2n1
InChIInChI=1S/C17H15N5S/c1-12-8-16(19-9-14-4-2-3-6-18-14)22-17(21-12)15(10-20-22)13-5-7-23-11-13/h2-8,10-11,19H,9H2,1H3
InChIKeyWEXWVSIEGMHDTL-UHFFFAOYSA-N
XLogP3.77
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(pyridin-2-ylmethyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-(pyridin-2-ylmethyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 122193381) is 5-methyl-N-(pyridin-2-ylmethyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-(pyridin-2-ylmethyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-(pyridin-2-ylmethyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCc2ccccn2)n2ncc(-c3ccsc3)c2n1.
What is the InChIKey of 5-methyl-N-(pyridin-2-ylmethyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WEXWVSIEGMHDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5S/c1-12-8-16(19-9-14-4-2-3-6-18-14)22-17(21-12)15(10-20-22)13-5-7-23-11-13/h2-8,10-11,19H,9H2,1H3.
What are the key properties of 5-methyl-N-(pyridin-2-ylmethyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-(pyridin-2-ylmethyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 321.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(pyridin-2-ylmethyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 122193381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).