(2-oxo-2-phenylmethoxyethyl) 1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazine-4-carboxylate

C27H24N4O5 — CID 11612765

IUPAC(2-oxo-2-phenylmethoxyethyl) 1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazine-4-carboxylate
SMILESCCn1nc(-c2ccccc2)c(C(=O)OCC(=O)OCc2ccccc2)c(Nc2cccnc2)c1=O
InChIInChI=1S/C27H24N4O5/c1-2-31-26(33)25(29-21-14-9-15-28-16-21)23(24(30-31)20-12-7-4-8-13-20)27(34)36-18-22(32)35-17-19-10-5-3-6-11-19/h3-16,29H,2,17-18H2,1H3
InChIKeyKVXKNJUOGZSBHV-UHFFFAOYSA-N
MW484.51 g/mol
LogP3.97
Rot. Bonds9

About (2-oxo-2-phenylmethoxyethyl) 1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazine-4-carboxylate

(2-oxo-2-phenylmethoxyethyl) 1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazine-4-carboxylate (PubChem CID 11612765) has the molecular formula C27H24N4O5 and a molecular weight of 484.51 g/mol. Its IUPAC name is (2-oxo-2-phenylmethoxyethyl) 1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazine-4-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-phenylmethoxyethyl) 1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazine-4-carboxylate
PubChem CID11612765
Molecular FormulaC27H24N4O5
Molecular Weight484.51 g/mol
Exact Mass484.17
IUPAC Name(2-oxo-2-phenylmethoxyethyl) 1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazine-4-carboxylate
SMILESCCn1nc(-c2ccccc2)c(C(=O)OCC(=O)OCc2ccccc2)c(Nc2cccnc2)c1=O
InChIInChI=1S/C27H24N4O5/c1-2-31-26(33)25(29-21-14-9-15-28-16-21)23(24(30-31)20-12-7-4-8-13-20)27(34)36-18-22(32)35-17-19-10-5-3-6-11-19/h3-16,29H,2,17-18H2,1H3
InChIKeyKVXKNJUOGZSBHV-UHFFFAOYSA-N
XLogP3.97
TPSA112.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-phenylmethoxyethyl) 1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazine-4-carboxylate?
The IUPAC name of (2-oxo-2-phenylmethoxyethyl) 1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazine-4-carboxylate (CID 11612765) is (2-oxo-2-phenylmethoxyethyl) 1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazine-4-carboxylate.
What is the SMILES notation for (2-oxo-2-phenylmethoxyethyl) 1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazine-4-carboxylate?
The canonical SMILES for (2-oxo-2-phenylmethoxyethyl) 1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazine-4-carboxylate is CCn1nc(-c2ccccc2)c(C(=O)OCC(=O)OCc2ccccc2)c(Nc2cccnc2)c1=O.
What is the InChIKey of (2-oxo-2-phenylmethoxyethyl) 1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazine-4-carboxylate?
The InChIKey is KVXKNJUOGZSBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O5/c1-2-31-26(33)25(29-21-14-9-15-28-16-21)23(24(30-31)20-12-7-4-8-13-20)27(34)36-18-22(32)35-17-19-10-5-3-6-11-19/h3-16,29H,2,17-18H2,1H3.
What are the key properties of (2-oxo-2-phenylmethoxyethyl) 1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazine-4-carboxylate?
(2-oxo-2-phenylmethoxyethyl) 1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazine-4-carboxylate has a molecular weight of 484.51 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-phenylmethoxyethyl) 1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazine-4-carboxylate is sourced from PubChem (CID 11612765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).