5-hydroxy-2-(2-methoxyphenyl)-6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyridazin-3-one

C25H25N5O4 — CID 108809323

IUPAC5-hydroxy-2-(2-methoxyphenyl)-6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyridazin-3-one
SMILESCOc1ccccc1-n1nc(C(=O)N2CCC(c3nc4ccc(C)cc4[nH]3)CC2)c(O)cc1=O
InChIInChI=1S/C25H25N5O4/c1-15-7-8-17-18(13-15)27-24(26-17)16-9-11-29(12-10-16)25(33)23-20(31)14-22(32)30(28-23)19-5-3-4-6-21(19)34-2/h3-8,13-14,16,31H,9-12H2,1-2H3,(H,26,27)
InChIKeyIYMWGWQWLOZGPR-UHFFFAOYSA-N
MW459.51 g/mol
LogP3.15
Rot. Bonds4

About 5-hydroxy-2-(2-methoxyphenyl)-6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyridazin-3-one

5-hydroxy-2-(2-methoxyphenyl)-6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyridazin-3-one (PubChem CID 108809323) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is 5-hydroxy-2-(2-methoxyphenyl)-6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name5-hydroxy-2-(2-methoxyphenyl)-6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyridazin-3-one
PubChem CID108809323
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC Name5-hydroxy-2-(2-methoxyphenyl)-6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyridazin-3-one
SMILESCOc1ccccc1-n1nc(C(=O)N2CCC(c3nc4ccc(C)cc4[nH]3)CC2)c(O)cc1=O
InChIInChI=1S/C25H25N5O4/c1-15-7-8-17-18(13-15)27-24(26-17)16-9-11-29(12-10-16)25(33)23-20(31)14-22(32)30(28-23)19-5-3-4-6-21(19)34-2/h3-8,13-14,16,31H,9-12H2,1-2H3,(H,26,27)
InChIKeyIYMWGWQWLOZGPR-UHFFFAOYSA-N
XLogP3.15
TPSA113.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(2-methoxyphenyl)-6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 5-hydroxy-2-(2-methoxyphenyl)-6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyridazin-3-one (CID 108809323) is 5-hydroxy-2-(2-methoxyphenyl)-6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 5-hydroxy-2-(2-methoxyphenyl)-6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 5-hydroxy-2-(2-methoxyphenyl)-6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyridazin-3-one is COc1ccccc1-n1nc(C(=O)N2CCC(c3nc4ccc(C)cc4[nH]3)CC2)c(O)cc1=O.
What is the InChIKey of 5-hydroxy-2-(2-methoxyphenyl)-6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyridazin-3-one?
The InChIKey is IYMWGWQWLOZGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-15-7-8-17-18(13-15)27-24(26-17)16-9-11-29(12-10-16)25(33)23-20(31)14-22(32)30(28-23)19-5-3-4-6-21(19)34-2/h3-8,13-14,16,31H,9-12H2,1-2H3,(H,26,27).
What are the key properties of 5-hydroxy-2-(2-methoxyphenyl)-6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyridazin-3-one?
5-hydroxy-2-(2-methoxyphenyl)-6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyridazin-3-one has a molecular weight of 459.51 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(2-methoxyphenyl)-6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 108809323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).