N-(6-methoxy-3-pyridinyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine

C16H13N5OS — CID 59662493

IUPACN-(6-methoxy-3-pyridinyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1ccc(Nc2ccn3ncc(-c4ccsc4)c3n2)cn1
InChIInChI=1S/C16H13N5OS/c1-22-15-3-2-12(8-17-15)19-14-4-6-21-16(20-14)13(9-18-21)11-5-7-23-10-11/h2-10H,1H3,(H,19,20)
InChIKeyCCXHYNBVLOKJEQ-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.61
Rot. Bonds4

About N-(6-methoxy-3-pyridinyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine

N-(6-methoxy-3-pyridinyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 59662493) has the molecular formula C16H13N5OS and a molecular weight of 323.38 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID59662493
Molecular FormulaC16H13N5OS
Molecular Weight323.38 g/mol
Exact Mass323.08
IUPAC NameN-(6-methoxy-3-pyridinyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1ccc(Nc2ccn3ncc(-c4ccsc4)c3n2)cn1
InChIInChI=1S/C16H13N5OS/c1-22-15-3-2-12(8-17-15)19-14-4-6-21-16(20-14)13(9-18-21)11-5-7-23-10-11/h2-10H,1H3,(H,19,20)
InChIKeyCCXHYNBVLOKJEQ-UHFFFAOYSA-N
XLogP3.61
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine (CID 59662493) is N-(6-methoxy-3-pyridinyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine is COc1ccc(Nc2ccn3ncc(-c4ccsc4)c3n2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is CCXHYNBVLOKJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS/c1-22-15-3-2-12(8-17-15)19-14-4-6-21-16(20-14)13(9-18-21)11-5-7-23-10-11/h2-10H,1H3,(H,19,20).
What are the key properties of N-(6-methoxy-3-pyridinyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine?
N-(6-methoxy-3-pyridinyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 323.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 59662493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).