1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxypyrido[3,4-d]pyridazine

C22H14FN5O — CID 56592036

IUPAC1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxypyrido[3,4-d]pyridazine
SMILESCOc1nnc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C22H14FN5O/c1-29-22-17-12-24-10-8-13(17)20(27-28-22)16-11-19(15-5-2-3-7-18(15)23)26-21-14(16)6-4-9-25-21/h2-12H,1H3
InChIKeyHPAAMLQMBKFWAC-UHFFFAOYSA-N
MW383.39 g/mol
LogP4.45
Rot. Bonds3

About 1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxypyrido[3,4-d]pyridazine

1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxypyrido[3,4-d]pyridazine (PubChem CID 56592036) has the molecular formula C22H14FN5O and a molecular weight of 383.39 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxypyrido[3,4-d]pyridazine.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxypyrido[3,4-d]pyridazine
PubChem CID56592036
Molecular FormulaC22H14FN5O
Molecular Weight383.39 g/mol
Exact Mass383.12
IUPAC Name1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxypyrido[3,4-d]pyridazine
SMILESCOc1nnc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C22H14FN5O/c1-29-22-17-12-24-10-8-13(17)20(27-28-22)16-11-19(15-5-2-3-7-18(15)23)26-21-14(16)6-4-9-25-21/h2-12H,1H3
InChIKeyHPAAMLQMBKFWAC-UHFFFAOYSA-N
XLogP4.45
TPSA73.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxypyrido[3,4-d]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxypyrido[3,4-d]pyridazine?
The IUPAC name of 1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxypyrido[3,4-d]pyridazine (CID 56592036) is 1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxypyrido[3,4-d]pyridazine.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxypyrido[3,4-d]pyridazine?
The canonical SMILES for 1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxypyrido[3,4-d]pyridazine is COc1nnc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12.
What is the InChIKey of 1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxypyrido[3,4-d]pyridazine?
The InChIKey is HPAAMLQMBKFWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN5O/c1-29-22-17-12-24-10-8-13(17)20(27-28-22)16-11-19(15-5-2-3-7-18(15)23)26-21-14(16)6-4-9-25-21/h2-12H,1H3.
What are the key properties of 1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxypyrido[3,4-d]pyridazine?
1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxypyrido[3,4-d]pyridazine has a molecular weight of 383.39 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxypyrido[3,4-d]pyridazine is sourced from PubChem (CID 56592036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).