7-amino-5-ethoxy-2-[(4-methoxy-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C15H15N7O2 — CID 171351488

IUPAC7-amino-5-ethoxy-2-[(4-methoxy-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCOc1cc(N)n2nc(Nc3cc(OC)ccn3)c(C#N)c2n1
InChIInChI=1S/C15H15N7O2/c1-3-24-13-7-11(17)22-15(20-13)10(8-16)14(21-22)19-12-6-9(23-2)4-5-18-12/h4-7H,3,17H2,1-2H3,(H,18,19,21)
InChIKeyPSVVFOKDFJMUAF-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.73
Rot. Bonds5

About 7-amino-5-ethoxy-2-[(4-methoxy-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-amino-5-ethoxy-2-[(4-methoxy-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 171351488) has the molecular formula C15H15N7O2 and a molecular weight of 325.33 g/mol. Its IUPAC name is 7-amino-5-ethoxy-2-[(4-methoxy-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-amino-5-ethoxy-2-[(4-methoxy-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID171351488
Molecular FormulaC15H15N7O2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC Name7-amino-5-ethoxy-2-[(4-methoxy-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCOc1cc(N)n2nc(Nc3cc(OC)ccn3)c(C#N)c2n1
InChIInChI=1S/C15H15N7O2/c1-3-24-13-7-11(17)22-15(20-13)10(8-16)14(21-22)19-12-6-9(23-2)4-5-18-12/h4-7H,3,17H2,1-2H3,(H,18,19,21)
InChIKeyPSVVFOKDFJMUAF-UHFFFAOYSA-N
XLogP1.73
TPSA123.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-ethoxy-2-[(4-methoxy-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-amino-5-ethoxy-2-[(4-methoxy-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 171351488) is 7-amino-5-ethoxy-2-[(4-methoxy-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-amino-5-ethoxy-2-[(4-methoxy-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-amino-5-ethoxy-2-[(4-methoxy-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CCOc1cc(N)n2nc(Nc3cc(OC)ccn3)c(C#N)c2n1.
What is the InChIKey of 7-amino-5-ethoxy-2-[(4-methoxy-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is PSVVFOKDFJMUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O2/c1-3-24-13-7-11(17)22-15(20-13)10(8-16)14(21-22)19-12-6-9(23-2)4-5-18-12/h4-7H,3,17H2,1-2H3,(H,18,19,21).
What are the key properties of 7-amino-5-ethoxy-2-[(4-methoxy-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-amino-5-ethoxy-2-[(4-methoxy-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 325.33 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-ethoxy-2-[(4-methoxy-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 171351488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).