5-(5,6-dimethoxy-3-pyridinyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine

C18H16N6O2 — CID 171783818

IUPAC5-(5,6-dimethoxy-3-pyridinyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1cc(-c2ccn3nc(Nc4ccccn4)cc3n2)cnc1OC
InChIInChI=1S/C18H16N6O2/c1-25-14-9-12(11-20-18(14)26-2)13-6-8-24-17(21-13)10-16(23-24)22-15-5-3-4-7-19-15/h3-11H,1-2H3,(H,19,22,23)
InChIKeyBLFHBZZOKOBYDV-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.95
Rot. Bonds5

About 5-(5,6-dimethoxy-3-pyridinyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine

5-(5,6-dimethoxy-3-pyridinyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 171783818) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 5-(5,6-dimethoxy-3-pyridinyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(5,6-dimethoxy-3-pyridinyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID171783818
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name5-(5,6-dimethoxy-3-pyridinyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1cc(-c2ccn3nc(Nc4ccccn4)cc3n2)cnc1OC
InChIInChI=1S/C18H16N6O2/c1-25-14-9-12(11-20-18(14)26-2)13-6-8-24-17(21-13)10-16(23-24)22-15-5-3-4-7-19-15/h3-11H,1-2H3,(H,19,22,23)
InChIKeyBLFHBZZOKOBYDV-UHFFFAOYSA-N
XLogP2.95
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethoxy-3-pyridinyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5-(5,6-dimethoxy-3-pyridinyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine (CID 171783818) is 5-(5,6-dimethoxy-3-pyridinyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5-(5,6-dimethoxy-3-pyridinyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5-(5,6-dimethoxy-3-pyridinyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine is COc1cc(-c2ccn3nc(Nc4ccccn4)cc3n2)cnc1OC.
What is the InChIKey of 5-(5,6-dimethoxy-3-pyridinyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is BLFHBZZOKOBYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-25-14-9-12(11-20-18(14)26-2)13-6-8-24-17(21-13)10-16(23-24)22-15-5-3-4-7-19-15/h3-11H,1-2H3,(H,19,22,23).
What are the key properties of 5-(5,6-dimethoxy-3-pyridinyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine?
5-(5,6-dimethoxy-3-pyridinyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 348.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethoxy-3-pyridinyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 171783818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).