4-amino-2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one

C18H24N4O3 — CID 51496299

IUPAC4-amino-2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)n2nc(-c3ccco3)cc(N)c2=O)C1
InChIInChI=1S/C18H24N4O3/c1-11-7-12(2)10-21(9-11)17(23)13(3)22-18(24)14(19)8-15(20-22)16-5-4-6-25-16/h4-6,8,11-13H,7,9-10,19H2,1-3H3/t11-,12-,13-/m1/s1
InChIKeyFAEMBUTTZRVJSV-JHJVBQTASA-N
MW344.42 g/mol
LogP2.15
Rot. Bonds3

About 4-amino-2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one

4-amino-2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one (PubChem CID 51496299) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-amino-2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-amino-2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
PubChem CID51496299
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name4-amino-2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)n2nc(-c3ccco3)cc(N)c2=O)C1
InChIInChI=1S/C18H24N4O3/c1-11-7-12(2)10-21(9-11)17(23)13(3)22-18(24)14(19)8-15(20-22)16-5-4-6-25-16/h4-6,8,11-13H,7,9-10,19H2,1-3H3/t11-,12-,13-/m1/s1
InChIKeyFAEMBUTTZRVJSV-JHJVBQTASA-N
XLogP2.15
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

4-amino-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 46961371
2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 46961338
(2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N,N-bis(prop-2-enyl)propanamide
CID 51496315
(2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide
CID 51583817
2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
CID 121076220
(2S)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 51496285
4-amino-2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyridazin-3-one
CID 51495017
4-cyclopropyl-5-(furan-2-yl)-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,4-triazol-3-one
CID 121117135
2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 51589118
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 35555894
2-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
CID 121075989
2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
CID 121076117

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one?
The IUPAC name of 4-amino-2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one (CID 51496299) is 4-amino-2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one.
What is the SMILES notation for 4-amino-2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one?
The canonical SMILES for 4-amino-2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one is C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)n2nc(-c3ccco3)cc(N)c2=O)C1.
What is the InChIKey of 4-amino-2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one?
The InChIKey is FAEMBUTTZRVJSV-JHJVBQTASA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11-7-12(2)10-21(9-11)17(23)13(3)22-18(24)14(19)8-15(20-22)16-5-4-6-25-16/h4-6,8,11-13H,7,9-10,19H2,1-3H3/t11-,12-,13-/m1/s1.
What are the key properties of 4-amino-2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one?
4-amino-2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one has a molecular weight of 344.42 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one is sourced from PubChem (CID 51496299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).