2-[3-(7-methoxy-1,5-naphthyridin-4-yl)propanimidoyl]-6-phenylpyridazin-3-imine

C22H20N6O — CID 154445104

IUPAC2-[3-(7-methoxy-1,5-naphthyridin-4-yl)propanimidoyl]-6-phenylpyridazin-3-imine
SMILES[H]/N=C(\CCc1ccnc2cc(OC)cnc12)n1nc(-c2ccccc2)cc/c1=N\[H]
InChIInChI=1S/C22H20N6O/c1-29-17-13-19-22(26-14-17)16(11-12-25-19)7-9-20(23)28-21(24)10-8-18(27-28)15-5-3-2-4-6-15/h2-6,8,10-14,23-24H,7,9H2,1H3/b23-20+,24-21+
InChIKeyUGOTYELWMHPXOW-GKXZNNNVSA-N
MW384.44 g/mol
LogP3.44
Rot. Bonds5

About 2-[3-(7-methoxy-1,5-naphthyridin-4-yl)propanimidoyl]-6-phenylpyridazin-3-imine

2-[3-(7-methoxy-1,5-naphthyridin-4-yl)propanimidoyl]-6-phenylpyridazin-3-imine (PubChem CID 154445104) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[3-(7-methoxy-1,5-naphthyridin-4-yl)propanimidoyl]-6-phenylpyridazin-3-imine.

Molecular Properties

Compound Name2-[3-(7-methoxy-1,5-naphthyridin-4-yl)propanimidoyl]-6-phenylpyridazin-3-imine
PubChem CID154445104
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name2-[3-(7-methoxy-1,5-naphthyridin-4-yl)propanimidoyl]-6-phenylpyridazin-3-imine
SMILES[H]/N=C(\CCc1ccnc2cc(OC)cnc12)n1nc(-c2ccccc2)cc/c1=N\[H]
InChIInChI=1S/C22H20N6O/c1-29-17-13-19-22(26-14-17)16(11-12-25-19)7-9-20(23)28-21(24)10-8-18(27-28)15-5-3-2-4-6-15/h2-6,8,10-14,23-24H,7,9H2,1H3/b23-20+,24-21+
InChIKeyUGOTYELWMHPXOW-GKXZNNNVSA-N
XLogP3.44
TPSA100.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[3-(7-methoxyquinolin-4-yl)oxyprop-1-en-2-yl]-N-methyl-6-phenylpyridazin-3-imine
CID 143611176
2-[2-[3-(5-bromopyrimidin-2-yl)phenyl]ethanimidoyl]-6-methoxypyridazin-3-imine
CID 89416158
3-methoxy-8-methyl-1,5-naphthyridine
CID 67962476
2-fluoro-5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-methoxy-8-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridine;bis(7-methoxy-4-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propyl]quinoline);3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide
CID 157049945
1-(4-phenylimidazol-1-yl)butan-1-imine
CID 174528104
7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
CID 24864821
4-[6-imino-3-[4-[(3-methoxyphenyl)methoxy]phenyl]pyridazin-1-yl]butanoic acid;hydrobromide
CID 53357338
2-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-phenylpyridazin-3-one
CID 25016340
4-[2-imino-1-[4,4,4-trifluoro-3-(4-methoxyphenyl)butanimidoyl]-4-pyridinyl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 144880488
[4-[1-(2-fluoro-2-quinolin-6-ylethanimidoyl)-6-iminopyridazin-3-yl]phenyl]methanamine
CID 143662647
3-[2-(4-methoxyphenyl)quinolin-4-yl]propanoic acid;hydrochloride
CID 170330696
2-[2-[(7-methoxyquinolin-4-yl)amino]ethyl]-6-phenylpyridazin-3-one
CID 59843110

Frequently Asked Questions

What is the IUPAC name of 2-[3-(7-methoxy-1,5-naphthyridin-4-yl)propanimidoyl]-6-phenylpyridazin-3-imine?
The IUPAC name of 2-[3-(7-methoxy-1,5-naphthyridin-4-yl)propanimidoyl]-6-phenylpyridazin-3-imine (CID 154445104) is 2-[3-(7-methoxy-1,5-naphthyridin-4-yl)propanimidoyl]-6-phenylpyridazin-3-imine.
What is the SMILES notation for 2-[3-(7-methoxy-1,5-naphthyridin-4-yl)propanimidoyl]-6-phenylpyridazin-3-imine?
The canonical SMILES for 2-[3-(7-methoxy-1,5-naphthyridin-4-yl)propanimidoyl]-6-phenylpyridazin-3-imine is [H]/N=C(\CCc1ccnc2cc(OC)cnc12)n1nc(-c2ccccc2)cc/c1=N\[H].
What is the InChIKey of 2-[3-(7-methoxy-1,5-naphthyridin-4-yl)propanimidoyl]-6-phenylpyridazin-3-imine?
The InChIKey is UGOTYELWMHPXOW-GKXZNNNVSA-N. The full InChI is InChI=1S/C22H20N6O/c1-29-17-13-19-22(26-14-17)16(11-12-25-19)7-9-20(23)28-21(24)10-8-18(27-28)15-5-3-2-4-6-15/h2-6,8,10-14,23-24H,7,9H2,1H3/b23-20+,24-21+.
What are the key properties of 2-[3-(7-methoxy-1,5-naphthyridin-4-yl)propanimidoyl]-6-phenylpyridazin-3-imine?
2-[3-(7-methoxy-1,5-naphthyridin-4-yl)propanimidoyl]-6-phenylpyridazin-3-imine has a molecular weight of 384.44 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(7-methoxy-1,5-naphthyridin-4-yl)propanimidoyl]-6-phenylpyridazin-3-imine is sourced from PubChem (CID 154445104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).