6-imidazol-1-yl-2-[[1-[2-(1-methylindol-3-yl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one

C23H24N6O2 — CID 126926405

IUPAC6-imidazol-1-yl-2-[[1-[2-(1-methylindol-3-yl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCn1cc(CC(=O)N2CCCC2Cn2nc(-n3ccnc3)ccc2=O)c2ccccc21
InChIInChI=1S/C23H24N6O2/c1-26-14-17(19-6-2-3-7-20(19)26)13-23(31)28-11-4-5-18(28)15-29-22(30)9-8-21(25-29)27-12-10-24-16-27/h2-3,6-10,12,14,16,18H,4-5,11,13,15H2,1H3
InChIKeyNYBMLULJYJUVCL-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.15
Rot. Bonds5

About 6-imidazol-1-yl-2-[[1-[2-(1-methylindol-3-yl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one

6-imidazol-1-yl-2-[[1-[2-(1-methylindol-3-yl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126926405) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 6-imidazol-1-yl-2-[[1-[2-(1-methylindol-3-yl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-imidazol-1-yl-2-[[1-[2-(1-methylindol-3-yl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126926405
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name6-imidazol-1-yl-2-[[1-[2-(1-methylindol-3-yl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCn1cc(CC(=O)N2CCCC2Cn2nc(-n3ccnc3)ccc2=O)c2ccccc21
InChIInChI=1S/C23H24N6O2/c1-26-14-17(19-6-2-3-7-20(19)26)13-23(31)28-11-4-5-18(28)15-29-22(30)9-8-21(25-29)27-12-10-24-16-27/h2-3,6-10,12,14,16,18H,4-5,11,13,15H2,1H3
InChIKeyNYBMLULJYJUVCL-UHFFFAOYSA-N
XLogP2.15
TPSA77.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926381
6-imidazol-1-yl-2-[[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926376
2-[2-[(3-imidazol-1-yl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methylquinazolin-4-one
CID 126926657
6-imidazol-1-yl-2-[[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926545
6-imidazol-1-yl-2-[(1-pyrazin-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126926440
2-(1-methylindol-3-yl)-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone
CID 94811631
2-(1-methylindol-3-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95294044
6-imidazol-1-yl-2-[[1-[(6-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926534
2-(1-methylindol-3-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone
CID 124817497
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126929967
2-[[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926648
2-[[1-(1-methylindazole-3-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923127

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-2-[[1-[2-(1-methylindol-3-yl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-imidazol-1-yl-2-[[1-[2-(1-methylindol-3-yl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126926405) is 6-imidazol-1-yl-2-[[1-[2-(1-methylindol-3-yl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-imidazol-1-yl-2-[[1-[2-(1-methylindol-3-yl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-imidazol-1-yl-2-[[1-[2-(1-methylindol-3-yl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one is Cn1cc(CC(=O)N2CCCC2Cn2nc(-n3ccnc3)ccc2=O)c2ccccc21.
What is the InChIKey of 6-imidazol-1-yl-2-[[1-[2-(1-methylindol-3-yl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is NYBMLULJYJUVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-26-14-17(19-6-2-3-7-20(19)26)13-23(31)28-11-4-5-18(28)15-29-22(30)9-8-21(25-29)27-12-10-24-16-27/h2-3,6-10,12,14,16,18H,4-5,11,13,15H2,1H3.
What are the key properties of 6-imidazol-1-yl-2-[[1-[2-(1-methylindol-3-yl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
6-imidazol-1-yl-2-[[1-[2-(1-methylindol-3-yl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 416.49 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-2-[[1-[2-(1-methylindol-3-yl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126926405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).