8-(6-amino-3-pyridinyl)-2-ethyl-4-methylpyrazolo[1,5-a]quinazolin-5-one

C18H17N5O — CID 72545653

IUPAC8-(6-amino-3-pyridinyl)-2-ethyl-4-methylpyrazolo[1,5-a]quinazolin-5-one
SMILESCCc1cc2n(C)c(=O)c3ccc(-c4ccc(N)nc4)cc3n2n1
InChIInChI=1S/C18H17N5O/c1-3-13-9-17-22(2)18(24)14-6-4-11(8-15(14)23(17)21-13)12-5-7-16(19)20-10-12/h4-10H,3H2,1-2H3,(H2,19,20)
InChIKeyZYGGVLYQIAXHTJ-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.39
Rot. Bonds2

About 8-(6-amino-3-pyridinyl)-2-ethyl-4-methylpyrazolo[1,5-a]quinazolin-5-one

8-(6-amino-3-pyridinyl)-2-ethyl-4-methylpyrazolo[1,5-a]quinazolin-5-one (PubChem CID 72545653) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 8-(6-amino-3-pyridinyl)-2-ethyl-4-methylpyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name8-(6-amino-3-pyridinyl)-2-ethyl-4-methylpyrazolo[1,5-a]quinazolin-5-one
PubChem CID72545653
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name8-(6-amino-3-pyridinyl)-2-ethyl-4-methylpyrazolo[1,5-a]quinazolin-5-one
SMILESCCc1cc2n(C)c(=O)c3ccc(-c4ccc(N)nc4)cc3n2n1
InChIInChI=1S/C18H17N5O/c1-3-13-9-17-22(2)18(24)14-6-4-11(8-15(14)23(17)21-13)12-5-7-16(19)20-10-12/h4-10H,3H2,1-2H3,(H2,19,20)
InChIKeyZYGGVLYQIAXHTJ-UHFFFAOYSA-N
XLogP2.39
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(6-amino-3-pyridinyl)-2-ethyl-4-methylpyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 8-(6-amino-3-pyridinyl)-2-ethyl-4-methylpyrazolo[1,5-a]quinazolin-5-one (CID 72545653) is 8-(6-amino-3-pyridinyl)-2-ethyl-4-methylpyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 8-(6-amino-3-pyridinyl)-2-ethyl-4-methylpyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 8-(6-amino-3-pyridinyl)-2-ethyl-4-methylpyrazolo[1,5-a]quinazolin-5-one is CCc1cc2n(C)c(=O)c3ccc(-c4ccc(N)nc4)cc3n2n1.
What is the InChIKey of 8-(6-amino-3-pyridinyl)-2-ethyl-4-methylpyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is ZYGGVLYQIAXHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-3-13-9-17-22(2)18(24)14-6-4-11(8-15(14)23(17)21-13)12-5-7-16(19)20-10-12/h4-10H,3H2,1-2H3,(H2,19,20).
What are the key properties of 8-(6-amino-3-pyridinyl)-2-ethyl-4-methylpyrazolo[1,5-a]quinazolin-5-one?
8-(6-amino-3-pyridinyl)-2-ethyl-4-methylpyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 319.37 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-amino-3-pyridinyl)-2-ethyl-4-methylpyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 72545653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).