6-(furan-2-yl)-2-[(3R)-1-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]pyridazin-3-one

C21H25N5O3 — CID 92565659

IUPAC6-(furan-2-yl)-2-[(3R)-1-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]pyridazin-3-one
SMILESCc1nccn1C[C@H](C)C(=O)N1CCC[C@@H](n2nc(-c3ccco3)ccc2=O)C1
InChIInChI=1S/C21H25N5O3/c1-15(13-24-11-9-22-16(24)2)21(28)25-10-3-5-17(14-25)26-20(27)8-7-18(23-26)19-6-4-12-29-19/h4,6-9,11-12,15,17H,3,5,10,13-14H2,1-2H3/t15-,17+/m0/s1
InChIKeyXYSOTIJHGHPEFS-DOTOQJQBSA-N
MW395.46 g/mol
LogP2.51
Rot. Bonds5

About 6-(furan-2-yl)-2-[(3R)-1-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]pyridazin-3-one

6-(furan-2-yl)-2-[(3R)-1-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]pyridazin-3-one (PubChem CID 92565659) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-[(3R)-1-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-(furan-2-yl)-2-[(3R)-1-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]pyridazin-3-one
PubChem CID92565659
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name6-(furan-2-yl)-2-[(3R)-1-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]pyridazin-3-one
SMILESCc1nccn1C[C@H](C)C(=O)N1CCC[C@@H](n2nc(-c3ccco3)ccc2=O)C1
InChIInChI=1S/C21H25N5O3/c1-15(13-24-11-9-22-16(24)2)21(28)25-10-3-5-17(14-25)26-20(27)8-7-18(23-26)19-6-4-12-29-19/h4,6-9,11-12,15,17H,3,5,10,13-14H2,1-2H3/t15-,17+/m0/s1
InChIKeyXYSOTIJHGHPEFS-DOTOQJQBSA-N
XLogP2.51
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(furan-2-yl)-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one
CID 110214053
6-(furan-2-yl)-2-[(3R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one
CID 95797593
6-(furan-2-yl)-2-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]pyridazin-3-one
CID 95797603
2-[1-(furan-2-carbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one
CID 16671079
6-(furan-2-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one
CID 16669577
2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
CID 121076220
N-[(1R)-1-cyclopentyl-2-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 95327472
(2S)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 95324257
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-methylpiperidine-3-carboxamide
CID 121034408
3-(furan-2-yl)-1-[3-(triazol-1-yl)piperidin-1-yl]butan-1-one
CID 146108009
[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 95341170
(3S)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-3-pyrrol-1-ylbutan-1-one
CID 95336243

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-[(3R)-1-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]pyridazin-3-one?
The IUPAC name of 6-(furan-2-yl)-2-[(3R)-1-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]pyridazin-3-one (CID 92565659) is 6-(furan-2-yl)-2-[(3R)-1-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]pyridazin-3-one.
What is the SMILES notation for 6-(furan-2-yl)-2-[(3R)-1-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]pyridazin-3-one?
The canonical SMILES for 6-(furan-2-yl)-2-[(3R)-1-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]pyridazin-3-one is Cc1nccn1C[C@H](C)C(=O)N1CCC[C@@H](n2nc(-c3ccco3)ccc2=O)C1.
What is the InChIKey of 6-(furan-2-yl)-2-[(3R)-1-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]pyridazin-3-one?
The InChIKey is XYSOTIJHGHPEFS-DOTOQJQBSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-15(13-24-11-9-22-16(24)2)21(28)25-10-3-5-17(14-25)26-20(27)8-7-18(23-26)19-6-4-12-29-19/h4,6-9,11-12,15,17H,3,5,10,13-14H2,1-2H3/t15-,17+/m0/s1.
What are the key properties of 6-(furan-2-yl)-2-[(3R)-1-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]pyridazin-3-one?
6-(furan-2-yl)-2-[(3R)-1-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]pyridazin-3-one has a molecular weight of 395.46 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-[(3R)-1-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]pyridazin-3-one is sourced from PubChem (CID 92565659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).