6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-3-pyridin-2-yl-1H-1,8-naphthyridin-4-one

C24H17ClN4O2 — CID 137438886

IUPAC6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-3-pyridin-2-yl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)c(-c4ccccn4)c[nH]c3nc2-c2ccc(C)o2)cc(Cl)n1
InChIInChI=1S/C24H17ClN4O2/c1-13-9-15(10-21(25)28-13)16-11-17-23(30)18(19-5-3-4-8-26-19)12-27-24(17)29-22(16)20-7-6-14(2)31-20/h3-12H,1-2H3,(H,27,29,30)
InChIKeyDYFZPACCRHEYEM-UHFFFAOYSA-N
MW428.88 g/mol
LogP5.58
Rot. Bonds3

About 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-3-pyridin-2-yl-1H-1,8-naphthyridin-4-one

6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-3-pyridin-2-yl-1H-1,8-naphthyridin-4-one (PubChem CID 137438886) has the molecular formula C24H17ClN4O2 and a molecular weight of 428.88 g/mol. Its IUPAC name is 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-3-pyridin-2-yl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-3-pyridin-2-yl-1H-1,8-naphthyridin-4-one
PubChem CID137438886
Molecular FormulaC24H17ClN4O2
Molecular Weight428.88 g/mol
Exact Mass428.10
IUPAC Name6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-3-pyridin-2-yl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)c(-c4ccccn4)c[nH]c3nc2-c2ccc(C)o2)cc(Cl)n1
InChIInChI=1S/C24H17ClN4O2/c1-13-9-15(10-21(25)28-13)16-11-17-23(30)18(19-5-3-4-8-26-19)12-27-24(17)29-22(16)20-7-6-14(2)31-20/h3-12H,1-2H3,(H,27,29,30)
InChIKeyDYFZPACCRHEYEM-UHFFFAOYSA-N
XLogP5.58
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.88
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-3-pyridin-2-yl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-3-pyridin-2-yl-1H-1,8-naphthyridin-4-one (CID 137438886) is 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-3-pyridin-2-yl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-3-pyridin-2-yl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-3-pyridin-2-yl-1H-1,8-naphthyridin-4-one is Cc1cc(-c2cc3c(=O)c(-c4ccccn4)c[nH]c3nc2-c2ccc(C)o2)cc(Cl)n1.
What is the InChIKey of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-3-pyridin-2-yl-1H-1,8-naphthyridin-4-one?
The InChIKey is DYFZPACCRHEYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O2/c1-13-9-15(10-21(25)28-13)16-11-17-23(30)18(19-5-3-4-8-26-19)12-27-24(17)29-22(16)20-7-6-14(2)31-20/h3-12H,1-2H3,(H,27,29,30).
What are the key properties of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-3-pyridin-2-yl-1H-1,8-naphthyridin-4-one?
6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-3-pyridin-2-yl-1H-1,8-naphthyridin-4-one has a molecular weight of 428.88 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-3-pyridin-2-yl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).