4-chloro-5-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-phenylpyridazin-3-one

C21H23ClN4O2 — CID 9195368

IUPAC4-chloro-5-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(NC[C@@H](c2ccco2)N2CCCCC2)cnn1-c1ccccc1
InChIInChI=1S/C21H23ClN4O2/c22-20-17(14-24-26(21(20)27)16-8-3-1-4-9-16)23-15-18(19-10-7-13-28-19)25-11-5-2-6-12-25/h1,3-4,7-10,13-14,18,23H,2,5-6,11-12,15H2/t18-/m0/s1
InChIKeyAWUHBOPDBUGNHK-SFHVURJKSA-N
MW398.89 g/mol
LogP4.12
Rot. Bonds6

About 4-chloro-5-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-phenylpyridazin-3-one

4-chloro-5-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-phenylpyridazin-3-one (PubChem CID 9195368) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 4-chloro-5-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-phenylpyridazin-3-one
PubChem CID9195368
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name4-chloro-5-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(NC[C@@H](c2ccco2)N2CCCCC2)cnn1-c1ccccc1
InChIInChI=1S/C21H23ClN4O2/c22-20-17(14-24-26(21(20)27)16-8-3-1-4-9-16)23-15-18(19-10-7-13-28-19)25-11-5-2-6-12-25/h1,3-4,7-10,13-14,18,23H,2,5-6,11-12,15H2/t18-/m0/s1
InChIKeyAWUHBOPDBUGNHK-SFHVURJKSA-N
XLogP4.12
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-5-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-phenylpyridazin-3-one with MolForge

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Related Compounds

4-chloro-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]amino]-2-phenylpyridazin-3-one
CID 9195369
4-chloro-5-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-phenylpyridazin-3-one
CID 18084796
4-chloro-2-(3-chloro-4-methylphenyl)-5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]pyridazin-3-one
CID 56584883
6-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 41102735
4-chloro-2-phenyl-5-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyridazin-3-one
CID 55830941
5-chloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 2494653
4-chloro-5-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-2-phenylpyridazin-3-one
CID 9340704
2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide
CID 8567196
[1-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]cyclohexyl]-dimethylazanium
CID 9194978
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 26892299
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 26892301
5-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-chloro-2-phenylpyridazin-3-one
CID 17489044

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-phenylpyridazin-3-one (CID 9195368) is 4-chloro-5-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-phenylpyridazin-3-one is O=c1c(Cl)c(NC[C@@H](c2ccco2)N2CCCCC2)cnn1-c1ccccc1.
What is the InChIKey of 4-chloro-5-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-phenylpyridazin-3-one?
The InChIKey is AWUHBOPDBUGNHK-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c22-20-17(14-24-26(21(20)27)16-8-3-1-4-9-16)23-15-18(19-10-7-13-28-19)25-11-5-2-6-12-25/h1,3-4,7-10,13-14,18,23H,2,5-6,11-12,15H2/t18-/m0/s1.
What are the key properties of 4-chloro-5-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-phenylpyridazin-3-one?
4-chloro-5-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-phenylpyridazin-3-one has a molecular weight of 398.89 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-phenylpyridazin-3-one is sourced from PubChem (CID 9195368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).