N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

C26H21N5O4S — CID 55430073

IUPACN-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCc1sc2ncn(NC(=O)c3ccc(=O)n(CCOc4ccccc4)n3)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C26H21N5O4S/c1-17-22(18-8-4-2-5-9-18)23-25(36-17)27-16-31(26(23)34)29-24(33)20-12-13-21(32)30(28-20)14-15-35-19-10-6-3-7-11-19/h2-13,16H,14-15H2,1H3,(H,29,33)
InChIKeyGKGQFACUUYLRNA-UHFFFAOYSA-N
MW499.55 g/mol
LogP3.45
Rot. Bonds7

About N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (PubChem CID 55430073) has the molecular formula C26H21N5O4S and a molecular weight of 499.55 g/mol. Its IUPAC name is N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
PubChem CID55430073
Molecular FormulaC26H21N5O4S
Molecular Weight499.55 g/mol
Exact Mass499.13
IUPAC NameN-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCc1sc2ncn(NC(=O)c3ccc(=O)n(CCOc4ccccc4)n3)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C26H21N5O4S/c1-17-22(18-8-4-2-5-9-18)23-25(36-17)27-16-31(26(23)34)29-24(33)20-12-13-21(32)30(28-20)14-15-35-19-10-6-3-7-11-19/h2-13,16H,14-15H2,1H3,(H,29,33)
InChIKeyGKGQFACUUYLRNA-UHFFFAOYSA-N
XLogP3.45
TPSA108.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.55
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide 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 N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (CID 55430073) is N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is Cc1sc2ncn(NC(=O)c3ccc(=O)n(CCOc4ccccc4)n3)c(=O)c2c1-c1ccccc1.
What is the InChIKey of N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The InChIKey is GKGQFACUUYLRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O4S/c1-17-22(18-8-4-2-5-9-18)23-25(36-17)27-16-31(26(23)34)29-24(33)20-12-13-21(32)30(28-20)14-15-35-19-10-6-3-7-11-19/h2-13,16H,14-15H2,1H3,(H,29,33).
What are the key properties of N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide has a molecular weight of 499.55 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 55430073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).