7-(2-amino-3-pyridinyl)-5-[1-(4-chlorophenyl)ethyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one

C19H16ClN5O2 — CID 126666186

IUPAC7-(2-amino-3-pyridinyl)-5-[1-(4-chlorophenyl)ethyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one
SMILESCc1noc2c(-c3cccnc3N)nn(C(C)c3ccc(Cl)cc3)c(=O)c12
InChIInChI=1S/C19H16ClN5O2/c1-10-15-17(27-24-10)16(14-4-3-9-22-18(14)21)23-25(19(15)26)11(2)12-5-7-13(20)8-6-12/h3-9,11H,1-2H3,(H2,21,22)
InChIKeyBUQVHQQUGYHZKK-UHFFFAOYSA-N
MW381.82 g/mol
LogP3.60
Rot. Bonds3

About 7-(2-amino-3-pyridinyl)-5-[1-(4-chlorophenyl)ethyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one

7-(2-amino-3-pyridinyl)-5-[1-(4-chlorophenyl)ethyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one (PubChem CID 126666186) has the molecular formula C19H16ClN5O2 and a molecular weight of 381.82 g/mol. Its IUPAC name is 7-(2-amino-3-pyridinyl)-5-[1-(4-chlorophenyl)ethyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name7-(2-amino-3-pyridinyl)-5-[1-(4-chlorophenyl)ethyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one
PubChem CID126666186
Molecular FormulaC19H16ClN5O2
Molecular Weight381.82 g/mol
Exact Mass381.10
IUPAC Name7-(2-amino-3-pyridinyl)-5-[1-(4-chlorophenyl)ethyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one
SMILESCc1noc2c(-c3cccnc3N)nn(C(C)c3ccc(Cl)cc3)c(=O)c12
InChIInChI=1S/C19H16ClN5O2/c1-10-15-17(27-24-10)16(14-4-3-9-22-18(14)21)23-25(19(15)26)11(2)12-5-7-13(20)8-6-12/h3-9,11H,1-2H3,(H2,21,22)
InChIKeyBUQVHQQUGYHZKK-UHFFFAOYSA-N
XLogP3.60
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-3-pyridinyl)-5-[1-(4-chlorophenyl)ethyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 7-(2-amino-3-pyridinyl)-5-[1-(4-chlorophenyl)ethyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one (CID 126666186) is 7-(2-amino-3-pyridinyl)-5-[1-(4-chlorophenyl)ethyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 7-(2-amino-3-pyridinyl)-5-[1-(4-chlorophenyl)ethyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 7-(2-amino-3-pyridinyl)-5-[1-(4-chlorophenyl)ethyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one is Cc1noc2c(-c3cccnc3N)nn(C(C)c3ccc(Cl)cc3)c(=O)c12.
What is the InChIKey of 7-(2-amino-3-pyridinyl)-5-[1-(4-chlorophenyl)ethyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The InChIKey is BUQVHQQUGYHZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2/c1-10-15-17(27-24-10)16(14-4-3-9-22-18(14)21)23-25(19(15)26)11(2)12-5-7-13(20)8-6-12/h3-9,11H,1-2H3,(H2,21,22).
What are the key properties of 7-(2-amino-3-pyridinyl)-5-[1-(4-chlorophenyl)ethyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one?
7-(2-amino-3-pyridinyl)-5-[1-(4-chlorophenyl)ethyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one has a molecular weight of 381.82 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-3-pyridinyl)-5-[1-(4-chlorophenyl)ethyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 126666186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).