2-[4-(difluoromethyl)phenyl]-N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3S)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;N-[(3S,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide

C156H180F8N36O14 — CID 159855138

IUPAC2-[4-(difluoromethyl)phenyl]-N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3S)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;N-[(3S,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide
SMILESCc1ccc(N2CC[C@@H](NC(=O)Cc3ccc(C(F)F)cc3)C2)nn1.Cc1ccc(N2CC[C@H](NC(=O)Cc3ccc(C(F)F)cc3)C2)nn1.Cc1ccc(N2C[C@@H](O)[C@@H](NC(=O)C3=C4C=CC(C(C)C)=CC4C=N3)C2)nn1.Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)C3=C4C=CC(C(C)C)=CC4C=N3)C2)nn1.Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)Cc3ccc(C(F)F)cc3)C2)nn1.Cc1ccc(N2C[C@H](NC(=O)C3=C4C=CC(C(C)C)=CC4C=N3)[C@@H](O)C2)nn1.Cc1ccc(N2C[C@H](O)[C@H](NC(=O)C3=C4C=CC(C(C)C)=CC4C=N3)C2)nn1.Cc1ccc(N2C[C@H](O)[C@H](NC(=O)Cc3ccc(C(F)F)cc3)C2)nn1
InChIInChI=1S/4C21H25N5O2.2C18H20F2N4O2.2C18H20F2N4O/c4*1-12(2)14-5-6-16-15(8-14)9-22-20(16)21(28)23-17-10-26(11-18(17)27)19-7-4-13(3)24-25-19;2*1-11-2-7-16(23-22-11)24-9-14(15(25)10-24)21-17(26)8-12-3-5-13(6-4-12)18(19)20;2*1-12-2-7-16(23-22-12)24-9-8-15(11-24)21-17(25)10-13-3-5-14(6-4-13)18(19)20/h4*4-9,12,15,17-18,27H,10-11H2,1-3H3,(H,23,28);2*2-7,14-15,18,25H,8-10H2,1H3,(H,21,26);2*2-7,15,18H,8-11H2,1H3,(H,21,25)/t2*15?,17-,18+;2*15?,17-,18-;14-,15+;14-,15-;2*15-/m10101110/s1
InChIKeyNQKWYNFWUPFNPX-NDKCVNICSA-N
MW2935.38 g/mol
LogP14.81
Rot. Bonds36

About 2-[4-(difluoromethyl)phenyl]-N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3S)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;N-[(3S,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide

2-[4-(difluoromethyl)phenyl]-N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3S)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;N-[(3S,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide (PubChem CID 159855138) has the molecular formula C156H180F8N36O14 and a molecular weight of 2935.38 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)phenyl]-N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3S)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;N-[(3S,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide.

Molecular Properties

Compound Name2-[4-(difluoromethyl)phenyl]-N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3S)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;N-[(3S,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide
PubChem CID159855138
Molecular FormulaC156H180F8N36O14
Molecular Weight2935.38 g/mol
Exact Mass2933.44
IUPAC Name2-[4-(difluoromethyl)phenyl]-N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3S)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;N-[(3S,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide
SMILESCc1ccc(N2CC[C@@H](NC(=O)Cc3ccc(C(F)F)cc3)C2)nn1.Cc1ccc(N2CC[C@H](NC(=O)Cc3ccc(C(F)F)cc3)C2)nn1.Cc1ccc(N2C[C@@H](O)[C@@H](NC(=O)C3=C4C=CC(C(C)C)=CC4C=N3)C2)nn1.Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)C3=C4C=CC(C(C)C)=CC4C=N3)C2)nn1.Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)Cc3ccc(C(F)F)cc3)C2)nn1.Cc1ccc(N2C[C@H](NC(=O)C3=C4C=CC(C(C)C)=CC4C=N3)[C@@H](O)C2)nn1.Cc1ccc(N2C[C@H](O)[C@H](NC(=O)C3=C4C=CC(C(C)C)=CC4C=N3)C2)nn1.Cc1ccc(N2C[C@H](O)[C@H](NC(=O)Cc3ccc(C(F)F)cc3)C2)nn1
InChIInChI=1S/4C21H25N5O2.2C18H20F2N4O2.2C18H20F2N4O/c4*1-12(2)14-5-6-16-15(8-14)9-22-20(16)21(28)23-17-10-26(11-18(17)27)19-7-4-13(3)24-25-19;2*1-11-2-7-16(23-22-11)24-9-14(15(25)10-24)21-17(26)8-12-3-5-13(6-4-12)18(19)20;2*1-12-2-7-16(23-22-12)24-9-8-15(11-24)21-17(25)10-13-3-5-14(6-4-13)18(19)20/h4*4-9,12,15,17-18,27H,10-11H2,1-3H3,(H,23,28);2*2-7,14-15,18,25H,8-10H2,1H3,(H,21,26);2*2-7,15,18H,8-11H2,1H3,(H,21,25)/t2*15?,17-,18+;2*15?,17-,18-;14-,15+;14-,15-;2*15-/m10101110/s1
InChIKeyNQKWYNFWUPFNPX-NDKCVNICSA-N
XLogP14.81
TPSA635.78 Ų
H-Bond Donors14
H-Bond Acceptors42
Rotatable Bonds36
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002935.38
LogP ≤ 514.81
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1042

Analyze 2-[4-(difluoromethyl)phenyl]-N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3S)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;N-[(3S,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(dichloromethyl)phenyl]-N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(dichloromethyl)phenyl]-N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(dichloromethyl)phenyl]-N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(dichloromethyl)phenyl]-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(dichloromethyl)phenyl]-N-[(3S)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3S,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;N-[(3S,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(5-propan-2-ylthiophen-2-yl)acetamide;N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(5-propan-2-ylthiophen-2-yl)acetamide;N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(5-propan-2-ylthiophen-2-yl)acetamide;N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(5-propan-2-ylthiophen-2-yl)acetamide;N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(5-propan-2-ylthiophen-2-yl)acetamide;N-[(3S)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(5-propan-2-ylthiophen-2-yl)acetamide
CID 161416187
N-[(3S,4R)-4-amino-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 157444837
N-[(3R,4S)-4-(methylamino)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 158954964
N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide;methanol
CID 145425836
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid
CID 129161486
N-[(3R)-1-(6-ethynylpyridazin-3-yl)pyrrolidin-3-yl]-2-[4-(1-hydroxypropan-2-yl)phenyl]acetamide
CID 158681242
N-[(3S)-1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-[4-(1-hydroxypropan-2-yl)phenyl]acetamide
CID 139547940
N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-1-(4-propan-2-ylphenyl)methanesulfonamide
CID 157429869
N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-1-(4-propan-2-ylphenyl)methanesulfonamide
CID 157429872
2-[4-(1-aminopropan-2-yl)phenyl]-N-[(3R,4S)-1-(6-ethynylpyridazin-3-yl)-4-hydroxypyrrolidin-3-yl]acetamide
CID 159528452
1-[(3aS,6aR)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 161222245
2-(4-propan-2-ylsulfanylphenyl)-N-[(3R)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide
CID 129356833

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)phenyl]-N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3S)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;N-[(3S,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide?
The IUPAC name of 2-[4-(difluoromethyl)phenyl]-N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3S)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;N-[(3S,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide (CID 159855138) is 2-[4-(difluoromethyl)phenyl]-N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3S)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;N-[(3S,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide.
What is the SMILES notation for 2-[4-(difluoromethyl)phenyl]-N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3S)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;N-[(3S,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide?
The canonical SMILES for 2-[4-(difluoromethyl)phenyl]-N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3S)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;N-[(3S,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide is Cc1ccc(N2CC[C@@H](NC(=O)Cc3ccc(C(F)F)cc3)C2)nn1.Cc1ccc(N2CC[C@H](NC(=O)Cc3ccc(C(F)F)cc3)C2)nn1.Cc1ccc(N2C[C@@H](O)[C@@H](NC(=O)C3=C4C=CC(C(C)C)=CC4C=N3)C2)nn1.Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)C3=C4C=CC(C(C)C)=CC4C=N3)C2)nn1.Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)Cc3ccc(C(F)F)cc3)C2)nn1.Cc1ccc(N2C[C@H](NC(=O)C3=C4C=CC(C(C)C)=CC4C=N3)[C@@H](O)C2)nn1.Cc1ccc(N2C[C@H](O)[C@H](NC(=O)C3=C4C=CC(C(C)C)=CC4C=N3)C2)nn1.Cc1ccc(N2C[C@H](O)[C@H](NC(=O)Cc3ccc(C(F)F)cc3)C2)nn1.
What is the InChIKey of 2-[4-(difluoromethyl)phenyl]-N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3S)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;N-[(3S,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide?
The InChIKey is NQKWYNFWUPFNPX-NDKCVNICSA-N. The full InChI is InChI=1S/4C21H25N5O2.2C18H20F2N4O2.2C18H20F2N4O/c4*1-12(2)14-5-6-16-15(8-14)9-22-20(16)21(28)23-17-10-26(11-18(17)27)19-7-4-13(3)24-25-19;2*1-11-2-7-16(23-22-11)24-9-14(15(25)10-24)21-17(26)8-12-3-5-13(6-4-12)18(19)20;2*1-12-2-7-16(23-22-12)24-9-8-15(11-24)21-17(25)10-13-3-5-14(6-4-13)18(19)20/h4*4-9,12,15,17-18,27H,10-11H2,1-3H3,(H,23,28);2*2-7,14-15,18,25H,8-10H2,1H3,(H,21,26);2*2-7,15,18H,8-11H2,1H3,(H,21,25)/t2*15?,17-,18+;2*15?,17-,18-;14-,15+;14-,15-;2*15-/m10101110/s1.
What are the key properties of 2-[4-(difluoromethyl)phenyl]-N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3S)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;N-[(3S,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide?
2-[4-(difluoromethyl)phenyl]-N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3S)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;N-[(3S,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide has a molecular weight of 2935.38 g/mol, XLogP of 14.81, 36 rotatable bonds, 14 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)phenyl]-N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;2-[4-(difluoromethyl)phenyl]-N-[(3S)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]acetamide;N-[(3S,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide;N-[(3R,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-5-propan-2-yl-3aH-isoindole-1-carboxamide is sourced from PubChem (CID 159855138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).