6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridazine-3-carboxamide

C25H21ClN8O4 — CID 134823270

About 6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridazine-3-carboxamide

6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridazine-3-carboxamide (PubChem CID 134823270) has the molecular formula C25H21ClN8O4 and a molecular weight of 532.95 g/mol. Its IUPAC name is 6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridazine-3-carboxamide
• PubChem CID: 134823270
• Molecular Formula: C25H21ClN8O4
• Molecular Weight: 532.95 g/mol
• Exact Mass: 532.14
• IUPAC Name: 6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridazine-3-carboxamide
• SMILES: Cc1noc(C2CN=C(Nc3ccc(Oc4ccc(C(N)=O)nn4)cc3)N(Cc3ccc(Cl)cc3)C2=O)n1
• InChI: InChI=1S/C25H21ClN8O4/c1-14-29-23(38-33-14)19-12-28-25(34(24(19)36)13-15-2-4-16(26)5-3-15)30-17-6-8-18(9-7-17)37-21-11-10-20(22(27)35)31-32-21/h2-11,19H,12-13H2,1H3,(H2,27,35)(H,28,30)
• InChIKey: IUPWQYVCVIKYKP-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 161.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.95
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridazine-3-carboxamide?

The IUPAC name of 6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridazine-3-carboxamide (CID 134823270) is 6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridazine-3-carboxamide.

What is the SMILES notation for 6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridazine-3-carboxamide?

The canonical SMILES for 6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridazine-3-carboxamide is Cc1noc(C2CN=C(Nc3ccc(Oc4ccc(C(N)=O)nn4)cc3)N(Cc3ccc(Cl)cc3)C2=O)n1.

What is the InChIKey of 6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridazine-3-carboxamide?

The InChIKey is IUPWQYVCVIKYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN8O4/c1-14-29-23(38-33-14)19-12-28-25(34(24(19)36)13-15-2-4-16(26)5-3-15)30-17-6-8-18(9-7-17)37-21-11-10-20(22(27)35)31-32-21/h2-11,19H,12-13H2,1H3,(H2,27,35)(H,28,30).

What are the key properties of 6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridazine-3-carboxamide?

6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridazine-3-carboxamide has a molecular weight of 532.95 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridazine-3-carboxamide is sourced from PubChem (CID 134823270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).