4-chloro-2-[1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]piperidin-4-yl]-5-[[(3S)-3-fluorooxan-3-yl]methylamino]pyridazin-3-one

C23H32ClFN6O3 — CID 168964396

IUPAC4-chloro-2-[1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]piperidin-4-yl]-5-[[(3S)-3-fluorooxan-3-yl]methylamino]pyridazin-3-one
SMILESCC[C@H](c1nc(C2CC2)no1)N1CCC(n2ncc(NC[C@@]3(F)CCCOC3)c(Cl)c2=O)CC1
InChIInChI=1S/C23H32ClFN6O3/c1-2-18(21-28-20(29-34-21)15-4-5-15)30-9-6-16(7-10-30)31-22(32)19(24)17(12-27-31)26-13-23(25)8-3-11-33-14-23/h12,15-16,18,26H,2-11,13-14H2,1H3/t18-,23+/m1/s1
InChIKeySESWAVZACLYQFP-JPYJTQIMSA-N
MW495.00 g/mol
LogP3.88
Rot. Bonds8

About 4-chloro-2-[1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]piperidin-4-yl]-5-[[(3S)-3-fluorooxan-3-yl]methylamino]pyridazin-3-one

4-chloro-2-[1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]piperidin-4-yl]-5-[[(3S)-3-fluorooxan-3-yl]methylamino]pyridazin-3-one (PubChem CID 168964396) has the molecular formula C23H32ClFN6O3 and a molecular weight of 495.00 g/mol. Its IUPAC name is 4-chloro-2-[1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]piperidin-4-yl]-5-[[(3S)-3-fluorooxan-3-yl]methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-[1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]piperidin-4-yl]-5-[[(3S)-3-fluorooxan-3-yl]methylamino]pyridazin-3-one
PubChem CID168964396
Molecular FormulaC23H32ClFN6O3
Molecular Weight495.00 g/mol
Exact Mass494.22
IUPAC Name4-chloro-2-[1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]piperidin-4-yl]-5-[[(3S)-3-fluorooxan-3-yl]methylamino]pyridazin-3-one
SMILESCC[C@H](c1nc(C2CC2)no1)N1CCC(n2ncc(NC[C@@]3(F)CCCOC3)c(Cl)c2=O)CC1
InChIInChI=1S/C23H32ClFN6O3/c1-2-18(21-28-20(29-34-21)15-4-5-15)30-9-6-16(7-10-30)31-22(32)19(24)17(12-27-31)26-13-23(25)8-3-11-33-14-23/h12,15-16,18,26H,2-11,13-14H2,1H3/t18-,23+/m1/s1
InChIKeySESWAVZACLYQFP-JPYJTQIMSA-N
XLogP3.88
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.00
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-chloro-2-[1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]piperidin-4-yl]-5-[[(3S)-3-fluorooxan-3-yl]methylamino]pyridazin-3-one with MolForge

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Related Compounds

4-[5-chloro-4-[(3-fluorooxan-3-yl)methylamino]-6-oxopyridazin-1-yl]-N-(4-cyanophenyl)-N-methylpiperidine-1-sulfonamide
CID 168963843
4-chloro-2-[4-[4-chloro-N-[[(2S)-1,4-dioxan-2-yl]methyl]anilino]cyclohexyl]-5-[[(3S)-3-fluorooxan-3-yl]methylamino]pyridazin-3-one
CID 170107674
4-chloro-2-[6-(2-cyclopropyl-5-methylphenoxy)-3-pyridinyl]-5-[[(3S)-3-fluorooxan-3-yl]methylamino]pyridazin-3-one
CID 170107524
4-chloro-5-[[(3S)-3-fluorooxan-3-yl]methylamino]-2-(4-phenoxyphenyl)pyridazin-3-one
CID 168963281
methyl N-[1-[4-[[5-[5-chloro-4-[[(3S)-3-fluorooxan-3-yl]methylamino]-6-oxopyridazin-1-yl]-2-pyridinyl]oxy]phenyl]cyclopropyl]carbamate
CID 168964398
4-chloro-5-[[(3S)-3-fluorooxan-3-yl]methylamino]-2-[2-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]-1,3-thiazol-5-yl]pyridazin-3-one
CID 168963241
4-chloro-2-[1-[(1R)-1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-5-[[(3R)-oxan-3-yl]methylamino]pyridazin-3-one
CID 170116134
4-chloro-2-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-5-[[(3R)-oxan-3-yl]methylamino]pyridazin-3-one
CID 168964255
4-chloro-2-[1-(2,6-dimethylphenyl)piperidin-4-yl]-5-[[(3R)-oxan-3-yl]methylamino]pyridazin-3-one
CID 168963289
4-chloro-2-[1-(2,6-dimethylphenyl)piperidin-4-yl]-5-[[(3S)-oxan-3-yl]methylamino]pyridazin-3-one
CID 168963336
4-chloro-5-[[(3S)-oxan-3-yl]methylamino]-2-(1-phenylpiperidin-4-yl)pyridazin-3-one
CID 168963423
4-chloro-2-[1-(2-methylphenyl)piperidin-4-yl]-5-[[(3R)-oxan-3-yl]methylamino]pyridazin-3-one
CID 168963482

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]piperidin-4-yl]-5-[[(3S)-3-fluorooxan-3-yl]methylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-[1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]piperidin-4-yl]-5-[[(3S)-3-fluorooxan-3-yl]methylamino]pyridazin-3-one (CID 168964396) is 4-chloro-2-[1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]piperidin-4-yl]-5-[[(3S)-3-fluorooxan-3-yl]methylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-[1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]piperidin-4-yl]-5-[[(3S)-3-fluorooxan-3-yl]methylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-[1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]piperidin-4-yl]-5-[[(3S)-3-fluorooxan-3-yl]methylamino]pyridazin-3-one is CC[C@H](c1nc(C2CC2)no1)N1CCC(n2ncc(NC[C@@]3(F)CCCOC3)c(Cl)c2=O)CC1.
What is the InChIKey of 4-chloro-2-[1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]piperidin-4-yl]-5-[[(3S)-3-fluorooxan-3-yl]methylamino]pyridazin-3-one?
The InChIKey is SESWAVZACLYQFP-JPYJTQIMSA-N. The full InChI is InChI=1S/C23H32ClFN6O3/c1-2-18(21-28-20(29-34-21)15-4-5-15)30-9-6-16(7-10-30)31-22(32)19(24)17(12-27-31)26-13-23(25)8-3-11-33-14-23/h12,15-16,18,26H,2-11,13-14H2,1H3/t18-,23+/m1/s1.
What are the key properties of 4-chloro-2-[1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]piperidin-4-yl]-5-[[(3S)-3-fluorooxan-3-yl]methylamino]pyridazin-3-one?
4-chloro-2-[1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]piperidin-4-yl]-5-[[(3S)-3-fluorooxan-3-yl]methylamino]pyridazin-3-one has a molecular weight of 495.00 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]piperidin-4-yl]-5-[[(3S)-3-fluorooxan-3-yl]methylamino]pyridazin-3-one is sourced from PubChem (CID 168964396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).