N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-cyclopropylphenyl)acetamide;N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-propan-2-ylphenyl)acetamide;[3-[[[2-(4-cyclopropylphenyl)acetyl]amino]methyl]-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl acetate;2-(4-cyclopropylphenyl)-N-[[3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide;2-(4-cyclopropylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[(3S)-3-methyl-4-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone

C155H180Cl2N28O13S2 — CID 165092083

IUPACN-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-cyclopropylphenyl)acetamide;N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-propan-2-ylphenyl)acetamide;[3-[[[2-(4-cyclopropylphenyl)acetyl]amino]methyl]-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl acetate;2-(4-cyclopropylphenyl)-N-[[3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide;2-(4-cyclopropylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[(3S)-3-methyl-4-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCC(=O)OCC1(CNC(=O)Cc2ccc(C3CC3)cc2)CN(c2ccc(C)nn2)C1.CC(C)c1ccc(CC(=O)N2CCN(c3ncc4ccsc4n3)CC2)cc1.Cc1ccc(N2CC(CO)(CNC(=O)Cc3ccc(C4CC4)cc3)C2)nn1.Cc1cnc2oc(N3CC(CCl)(CNC(=O)Cc4ccc(C(C)C)cc4)C3)nc2c1.Cc1cnc2oc(N3CC(CCl)(CNC(=O)Cc4ccc(C5CC5)cc4)C3)nc2c1.Cc1cnc2oc(N3CCN(C(=O)Cc4ccc(C(C)C)cc4)C[C@@H]3C)nc2c1.O=C(Cc1ccc(C2CC2)cc1)N1CCN(c2ncc3ccsc3n2)CC1
InChIInChI=1S/C23H25ClN4O2.C23H27ClN4O2.C23H28N4O3.C23H28N4O2.C21H26N4O2.C21H22N4OS.C21H24N4OS/c1-15-8-19-21(25-10-15)30-22(27-19)28-13-23(11-24,14-28)12-26-20(29)9-16-2-4-17(5-3-16)18-6-7-18;1-15(2)18-6-4-17(5-7-18)9-20(29)26-12-23(11-24)13-28(14-23)22-27-19-8-16(3)10-25-21(19)30-22;1-16-3-10-21(26-25-16)27-13-23(14-27,15-30-17(2)28)12-24-22(29)11-18-4-6-19(7-5-18)20-8-9-20;1-15(2)19-7-5-18(6-8-19)12-21(28)26-9-10-27(17(4)14-26)23-25-20-11-16(3)13-24-22(20)29-23;1-15-2-9-19(24-23-15)25-12-21(13-25,14-26)11-22-20(27)10-16-3-5-17(6-4-16)18-7-8-18;26-19(13-15-1-3-16(4-2-15)17-5-6-17)24-8-10-25(11-9-24)21-22-14-18-7-12-27-20(18)23-21;1-15(2)17-5-3-16(4-6-17)13-19(26)24-8-10-25(11-9-24)21-22-14-18-7-12-27-20(18)23-21/h2-5,8,10,18H,6-7,9,11-14H2,1H3,(H,26,29);4-8,10,15H,9,11-14H2,1-3H3,(H,26,29);3-7,10,20H,8-9,11-15H2,1-2H3,(H,24,29);5-8,11,13,15,17H,9-10,12,14H2,1-4H3;2-6,9,18,26H,7-8,10-14H2,1H3,(H,22,27);1-4,7,12,14,17H,5-6,8-11,13H2;3-7,12,14-15H,8-11,13H2,1-2H3/t;;;17-;;;/m...0.../s1
InChIKeyWWNWDDHJDINLOH-RSWQZERWSA-N
MW2778.37 g/mol
LogP23.18
Rot. Bonds41

About N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-cyclopropylphenyl)acetamide;N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-propan-2-ylphenyl)acetamide;[3-[[[2-(4-cyclopropylphenyl)acetyl]amino]methyl]-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl acetate;2-(4-cyclopropylphenyl)-N-[[3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide;2-(4-cyclopropylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[(3S)-3-methyl-4-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone

N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-cyclopropylphenyl)acetamide;N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-propan-2-ylphenyl)acetamide;[3-[[[2-(4-cyclopropylphenyl)acetyl]amino]methyl]-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl acetate;2-(4-cyclopropylphenyl)-N-[[3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide;2-(4-cyclopropylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[(3S)-3-methyl-4-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 165092083) has the molecular formula C155H180Cl2N28O13S2 and a molecular weight of 2778.37 g/mol. Its IUPAC name is N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-cyclopropylphenyl)acetamide;N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-propan-2-ylphenyl)acetamide;[3-[[[2-(4-cyclopropylphenyl)acetyl]amino]methyl]-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl acetate;2-(4-cyclopropylphenyl)-N-[[3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide;2-(4-cyclopropylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[(3S)-3-methyl-4-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound NameN-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-cyclopropylphenyl)acetamide;N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-propan-2-ylphenyl)acetamide;[3-[[[2-(4-cyclopropylphenyl)acetyl]amino]methyl]-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl acetate;2-(4-cyclopropylphenyl)-N-[[3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide;2-(4-cyclopropylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[(3S)-3-methyl-4-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID165092083
Molecular FormulaC155H180Cl2N28O13S2
Molecular Weight2778.37 g/mol
Exact Mass2775.31
IUPAC NameN-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-cyclopropylphenyl)acetamide;N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-propan-2-ylphenyl)acetamide;[3-[[[2-(4-cyclopropylphenyl)acetyl]amino]methyl]-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl acetate;2-(4-cyclopropylphenyl)-N-[[3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide;2-(4-cyclopropylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[(3S)-3-methyl-4-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCC(=O)OCC1(CNC(=O)Cc2ccc(C3CC3)cc2)CN(c2ccc(C)nn2)C1.CC(C)c1ccc(CC(=O)N2CCN(c3ncc4ccsc4n3)CC2)cc1.Cc1ccc(N2CC(CO)(CNC(=O)Cc3ccc(C4CC4)cc3)C2)nn1.Cc1cnc2oc(N3CC(CCl)(CNC(=O)Cc4ccc(C(C)C)cc4)C3)nc2c1.Cc1cnc2oc(N3CC(CCl)(CNC(=O)Cc4ccc(C5CC5)cc4)C3)nc2c1.Cc1cnc2oc(N3CCN(C(=O)Cc4ccc(C(C)C)cc4)C[C@@H]3C)nc2c1.O=C(Cc1ccc(C2CC2)cc1)N1CCN(c2ncc3ccsc3n2)CC1
InChIInChI=1S/C23H25ClN4O2.C23H27ClN4O2.C23H28N4O3.C23H28N4O2.C21H26N4O2.C21H22N4OS.C21H24N4OS/c1-15-8-19-21(25-10-15)30-22(27-19)28-13-23(11-24,14-28)12-26-20(29)9-16-2-4-17(5-3-16)18-6-7-18;1-15(2)18-6-4-17(5-7-18)9-20(29)26-12-23(11-24)13-28(14-23)22-27-19-8-16(3)10-25-21(19)30-22;1-16-3-10-21(26-25-16)27-13-23(14-27,15-30-17(2)28)12-24-22(29)11-18-4-6-19(7-5-18)20-8-9-20;1-15(2)19-7-5-18(6-8-19)12-21(28)26-9-10-27(17(4)14-26)23-25-20-11-16(3)13-24-22(20)29-23;1-15-2-9-19(24-23-15)25-12-21(13-25,14-26)11-22-20(27)10-16-3-5-17(6-4-16)18-7-8-18;26-19(13-15-1-3-16(4-2-15)17-5-6-17)24-8-10-25(11-9-24)21-22-14-18-7-12-27-20(18)23-21;1-15(2)17-5-3-16(4-6-17)13-19(26)24-8-10-25(11-9-24)21-22-14-18-7-12-27-20(18)23-21/h2-5,8,10,18H,6-7,9,11-14H2,1H3,(H,26,29);4-8,10,15H,9,11-14H2,1-3H3,(H,26,29);3-7,10,20H,8-9,11-15H2,1-2H3,(H,24,29);5-8,11,13,15,17H,9-10,12,14H2,1-4H3;2-6,9,18,26H,7-8,10-14H2,1H3,(H,22,27);1-4,7,12,14,17H,5-6,8-11,13H2;3-7,12,14-15H,8-11,13H2,1-2H3/t;;;17-;;;/m...0.../s1
InChIKeyWWNWDDHJDINLOH-RSWQZERWSA-N
XLogP23.18
TPSA466.42 Ų
H-Bond Donors5
H-Bond Acceptors36
Rotatable Bonds41
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002778.37
LogP ≤ 523.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-cyclopropylphenyl)acetamide;N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-propan-2-ylphenyl)acetamide;[3-[[[2-(4-cyclopropylphenyl)acetyl]amino]methyl]-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl acetate;2-(4-cyclopropylphenyl)-N-[[3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide;2-(4-cyclopropylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[(3S)-3-methyl-4-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-cyclopropylphenyl)acetamide;N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-propan-2-ylphenyl)acetamide;[3-[[[2-(4-cyclopropylphenyl)acetyl]amino]methyl]-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl acetate;2-(4-cyclopropylphenyl)-N-[[3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide;2-(4-cyclopropylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[(3S)-3-methyl-4-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-cyclopropylphenyl)acetamide;N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-propan-2-ylphenyl)acetamide;[3-[[[2-(4-cyclopropylphenyl)acetyl]amino]methyl]-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl acetate;2-(4-cyclopropylphenyl)-N-[[3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide;2-(4-cyclopropylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[(3S)-3-methyl-4-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 165092083) is N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-cyclopropylphenyl)acetamide;N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-propan-2-ylphenyl)acetamide;[3-[[[2-(4-cyclopropylphenyl)acetyl]amino]methyl]-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl acetate;2-(4-cyclopropylphenyl)-N-[[3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide;2-(4-cyclopropylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[(3S)-3-methyl-4-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-cyclopropylphenyl)acetamide;N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-propan-2-ylphenyl)acetamide;[3-[[[2-(4-cyclopropylphenyl)acetyl]amino]methyl]-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl acetate;2-(4-cyclopropylphenyl)-N-[[3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide;2-(4-cyclopropylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[(3S)-3-methyl-4-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-cyclopropylphenyl)acetamide;N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-propan-2-ylphenyl)acetamide;[3-[[[2-(4-cyclopropylphenyl)acetyl]amino]methyl]-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl acetate;2-(4-cyclopropylphenyl)-N-[[3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide;2-(4-cyclopropylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[(3S)-3-methyl-4-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone is CC(=O)OCC1(CNC(=O)Cc2ccc(C3CC3)cc2)CN(c2ccc(C)nn2)C1.CC(C)c1ccc(CC(=O)N2CCN(c3ncc4ccsc4n3)CC2)cc1.Cc1ccc(N2CC(CO)(CNC(=O)Cc3ccc(C4CC4)cc3)C2)nn1.Cc1cnc2oc(N3CC(CCl)(CNC(=O)Cc4ccc(C(C)C)cc4)C3)nc2c1.Cc1cnc2oc(N3CC(CCl)(CNC(=O)Cc4ccc(C5CC5)cc4)C3)nc2c1.Cc1cnc2oc(N3CCN(C(=O)Cc4ccc(C(C)C)cc4)C[C@@H]3C)nc2c1.O=C(Cc1ccc(C2CC2)cc1)N1CCN(c2ncc3ccsc3n2)CC1.
What is the InChIKey of N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-cyclopropylphenyl)acetamide;N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-propan-2-ylphenyl)acetamide;[3-[[[2-(4-cyclopropylphenyl)acetyl]amino]methyl]-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl acetate;2-(4-cyclopropylphenyl)-N-[[3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide;2-(4-cyclopropylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[(3S)-3-methyl-4-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is WWNWDDHJDINLOH-RSWQZERWSA-N. The full InChI is InChI=1S/C23H25ClN4O2.C23H27ClN4O2.C23H28N4O3.C23H28N4O2.C21H26N4O2.C21H22N4OS.C21H24N4OS/c1-15-8-19-21(25-10-15)30-22(27-19)28-13-23(11-24,14-28)12-26-20(29)9-16-2-4-17(5-3-16)18-6-7-18;1-15(2)18-6-4-17(5-7-18)9-20(29)26-12-23(11-24)13-28(14-23)22-27-19-8-16(3)10-25-21(19)30-22;1-16-3-10-21(26-25-16)27-13-23(14-27,15-30-17(2)28)12-24-22(29)11-18-4-6-19(7-5-18)20-8-9-20;1-15(2)19-7-5-18(6-8-19)12-21(28)26-9-10-27(17(4)14-26)23-25-20-11-16(3)13-24-22(20)29-23;1-15-2-9-19(24-23-15)25-12-21(13-25,14-26)11-22-20(27)10-16-3-5-17(6-4-16)18-7-8-18;26-19(13-15-1-3-16(4-2-15)17-5-6-17)24-8-10-25(11-9-24)21-22-14-18-7-12-27-20(18)23-21;1-15(2)17-5-3-16(4-6-17)13-19(26)24-8-10-25(11-9-24)21-22-14-18-7-12-27-20(18)23-21/h2-5,8,10,18H,6-7,9,11-14H2,1H3,(H,26,29);4-8,10,15H,9,11-14H2,1-3H3,(H,26,29);3-7,10,20H,8-9,11-15H2,1-2H3,(H,24,29);5-8,11,13,15,17H,9-10,12,14H2,1-4H3;2-6,9,18,26H,7-8,10-14H2,1H3,(H,22,27);1-4,7,12,14,17H,5-6,8-11,13H2;3-7,12,14-15H,8-11,13H2,1-2H3/t;;;17-;;;/m...0.../s1.
What are the key properties of N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-cyclopropylphenyl)acetamide;N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-propan-2-ylphenyl)acetamide;[3-[[[2-(4-cyclopropylphenyl)acetyl]amino]methyl]-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl acetate;2-(4-cyclopropylphenyl)-N-[[3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide;2-(4-cyclopropylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[(3S)-3-methyl-4-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone?
N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-cyclopropylphenyl)acetamide;N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-propan-2-ylphenyl)acetamide;[3-[[[2-(4-cyclopropylphenyl)acetyl]amino]methyl]-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl acetate;2-(4-cyclopropylphenyl)-N-[[3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide;2-(4-cyclopropylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[(3S)-3-methyl-4-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 2778.37 g/mol, XLogP of 23.18, 41 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-cyclopropylphenyl)acetamide;N-[[3-(chloromethyl)-1-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methyl]-2-(4-propan-2-ylphenyl)acetamide;[3-[[[2-(4-cyclopropylphenyl)acetyl]amino]methyl]-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl acetate;2-(4-cyclopropylphenyl)-N-[[3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide;2-(4-cyclopropylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[(3S)-3-methyl-4-(6-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1-(4-thieno[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 165092083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).