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

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Related Compounds

N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30780750
N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-(propanoylamino)benzamide
CID 56500875
2-[4-[2-[(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethoxy]phenyl]acetamide
CID 56501274
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-2-(4-phenylphenoxy)propanamide
CID 56501012
N-[(1R)-1-cyclopropylethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30796441
N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46549927
5-bromo-2-fluoro-N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)benzamide
CID 55338348
N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-2-naphthalen-2-ylsulfanylacetamide
CID 55370221
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-4-(2-oxopiperidin-1-yl)benzamide
CID 55436927

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).