1-[3-amino-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(5-thiophen-2-ylthiophen-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[5-fluoro-6-(2-fluorophenyl)-2-pyridinyl]ethanone

C121H122F7N23O8S3 — CID 158309245

IUPAC1-[3-amino-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(5-thiophen-2-ylthiophen-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[5-fluoro-6-(2-fluorophenyl)-2-pyridinyl]ethanone
SMILESCC(C)NC(=O)c1ccc(F)c(-c2nc(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)ccc2F)c1.N[C@H]1CCCN(c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C1.N[C@H]1CCCN(c2ccncc2CC(=O)c2ccc(F)c(-c3ccccc3F)n2)C1.Nc1ccc(-c2ccc(-c3cccs3)s2)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.Nc1ccc(-c2scc3c2OCCO3)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1
InChIInChI=1S/C27H29F2N5O2.C25H25N5OS2.C23H21F3N4O.C23H22F2N4O.C23H25N5O3S/c1-16(2)32-27(36)17-5-6-21(28)20(12-17)26-22(29)7-8-23(33-26)25(35)13-18-14-31-10-9-24(18)34-11-3-4-19(30)15-34;26-17-3-1-11-30(15-17)20-9-10-28-14-16(20)13-21(31)25-18(27)5-6-19(29-25)22-7-8-24(33-22)23-4-2-12-32-23;24-16-4-1-5-17(25)22(16)23-18(26)6-7-19(29-23)21(31)11-14-12-28-9-8-20(14)30-10-2-3-15(27)13-30;24-18-6-2-1-5-17(18)23-19(25)7-8-20(28-23)22(30)12-15-13-27-10-9-21(15)29-11-3-4-16(26)14-29;24-15-2-1-7-28(12-15)18-5-6-26-11-14(18)10-19(29)21-16(25)3-4-17(27-21)23-22-20(13-32-23)30-8-9-31-22/h5-10,12,14,16,19H,3-4,11,13,15,30H2,1-2H3,(H,32,36);2,4-10,12,14,17H,1,3,11,13,15,26-27H2;1,4-9,12,15H,2-3,10-11,13,27H2;1-2,5-10,13,16H,3-4,11-12,14,26H2;3-6,11,13,15H,1-2,7-10,12,24-25H2/t19-;17-;15-;16-;15-/m00000/s1
InChIKeyGNLXASGXCXMIPH-FMMAKRTISA-N
MW2255.65 g/mol
LogP19.38
Rot. Bonds28

About 1-[3-amino-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(5-thiophen-2-ylthiophen-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[5-fluoro-6-(2-fluorophenyl)-2-pyridinyl]ethanone

1-[3-amino-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(5-thiophen-2-ylthiophen-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[5-fluoro-6-(2-fluorophenyl)-2-pyridinyl]ethanone (PubChem CID 158309245) has the molecular formula C121H122F7N23O8S3 and a molecular weight of 2255.65 g/mol. Its IUPAC name is 1-[3-amino-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(5-thiophen-2-ylthiophen-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[5-fluoro-6-(2-fluorophenyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[3-amino-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(5-thiophen-2-ylthiophen-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[5-fluoro-6-(2-fluorophenyl)-2-pyridinyl]ethanone
PubChem CID158309245
Molecular FormulaC121H122F7N23O8S3
Molecular Weight2255.65 g/mol
Exact Mass2253.89
IUPAC Name1-[3-amino-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(5-thiophen-2-ylthiophen-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[5-fluoro-6-(2-fluorophenyl)-2-pyridinyl]ethanone
SMILESCC(C)NC(=O)c1ccc(F)c(-c2nc(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)ccc2F)c1.N[C@H]1CCCN(c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C1.N[C@H]1CCCN(c2ccncc2CC(=O)c2ccc(F)c(-c3ccccc3F)n2)C1.Nc1ccc(-c2ccc(-c3cccs3)s2)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.Nc1ccc(-c2scc3c2OCCO3)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1
InChIInChI=1S/C27H29F2N5O2.C25H25N5OS2.C23H21F3N4O.C23H22F2N4O.C23H25N5O3S/c1-16(2)32-27(36)17-5-6-21(28)20(12-17)26-22(29)7-8-23(33-26)25(35)13-18-14-31-10-9-24(18)34-11-3-4-19(30)15-34;26-17-3-1-11-30(15-17)20-9-10-28-14-16(20)13-21(31)25-18(27)5-6-19(29-25)22-7-8-24(33-22)23-4-2-12-32-23;24-16-4-1-5-17(25)22(16)23-18(26)6-7-19(29-23)21(31)11-14-12-28-9-8-20(14)30-10-2-3-15(27)13-30;24-18-6-2-1-5-17(18)23-19(25)7-8-20(28-23)22(30)12-15-13-27-10-9-21(15)29-11-3-4-16(26)14-29;24-15-2-1-7-28(12-15)18-5-6-26-11-14(18)10-19(29)21-16(25)3-4-17(27-21)23-22-20(13-32-23)30-8-9-31-22/h5-10,12,14,16,19H,3-4,11,13,15,30H2,1-2H3,(H,32,36);2,4-10,12,14,17H,1,3,11,13,15,26-27H2;1,4-9,12,15H,2-3,10-11,13,27H2;1-2,5-10,13,16H,3-4,11-12,14,26H2;3-6,11,13,15H,1-2,7-10,12,24-25H2/t19-;17-;15-;16-;15-/m00000/s1
InChIKeyGNLXASGXCXMIPH-FMMAKRTISA-N
XLogP19.38
TPSA460.15 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds28
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002255.65
LogP ≤ 519.38
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

Analyze 1-[3-amino-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(5-thiophen-2-ylthiophen-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[5-fluoro-6-(2-fluorophenyl)-2-pyridinyl]ethanone 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

[(2R,3S)-3-[4-[2-fluoro-6-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-2-(2-pyrrolidin-1-ylethyl)-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-(4-methylphenoxy)-2-propylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;6-[1-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidin-4-yl]oxypyridine-2-carboxamide
CID 158893612
2-[(2R,3S)-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-1-carbonyl]benzonitrile;N-methyl-2-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]acetamide;4-[2-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]ethyl]piperazin-2-one
CID 161461549
[(2R,3S)-3-[4-[2-(2-hydroxyethoxy)phenyl]piperazine-1-carbonyl]-2-(2-piperazin-1-ylethyl)-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;2-hydroxy-N-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]acetamide;[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-(5-methylthiophen-2-yl)oxy-2-propylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 161720974
Tert-butyl 4-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-cyclopropyl-3-[3-fluoro-4-[2-[5-(piperazin-1-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde;2,2,2-trifluoroacetaldehyde
CID 161721496
acetyl acetate;(2S)-butan-2-amine;1-[4-[2-[5-[[[(2S)-butan-2-yl]amino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-cyclopropylpropan-2-one;N-[(2S)-butan-2-yl]-N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]acetamide;6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde
CID 157686126
1-[2-fluoro-4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;5-[4-[3-fluoro-4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(2-oxopropyl)thiophene-2-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-3-carboxamide
CID 158235229
5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(3-oxobutyl)-1H-pyrrole-3-carboxamide;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(2-oxopropyl)thiophene-2-carboxamide;methyl 1-[3-[[5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]propyl]pyrrolidine-2-carboxylate
CID 158276314
1-[3-amino-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
CID 158309246
1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-(3-amino-6-pentan-3-yl-2-pyridinyl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone
CID 159490975
6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-thiophen-2-ylpyridine-2-carboxamide
CID 159756959
Tert-butyl 4-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-cyclopropyl-3-[3-fluoro-4-[2-[5-(piperazin-1-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde
CID 159899224
1-Cyclopropyl-3-[3-fluoro-4-[2-[5-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;bis(6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde);1-methyl-4-piperidin-4-ylpiperazine
CID 160797909

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(5-thiophen-2-ylthiophen-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[5-fluoro-6-(2-fluorophenyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[3-amino-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(5-thiophen-2-ylthiophen-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[5-fluoro-6-(2-fluorophenyl)-2-pyridinyl]ethanone (CID 158309245) is 1-[3-amino-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(5-thiophen-2-ylthiophen-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[5-fluoro-6-(2-fluorophenyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[3-amino-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(5-thiophen-2-ylthiophen-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[5-fluoro-6-(2-fluorophenyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[3-amino-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(5-thiophen-2-ylthiophen-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[5-fluoro-6-(2-fluorophenyl)-2-pyridinyl]ethanone is CC(C)NC(=O)c1ccc(F)c(-c2nc(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)ccc2F)c1.N[C@H]1CCCN(c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C1.N[C@H]1CCCN(c2ccncc2CC(=O)c2ccc(F)c(-c3ccccc3F)n2)C1.Nc1ccc(-c2ccc(-c3cccs3)s2)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.Nc1ccc(-c2scc3c2OCCO3)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.
What is the InChIKey of 1-[3-amino-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(5-thiophen-2-ylthiophen-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[5-fluoro-6-(2-fluorophenyl)-2-pyridinyl]ethanone?
The InChIKey is GNLXASGXCXMIPH-FMMAKRTISA-N. The full InChI is InChI=1S/C27H29F2N5O2.C25H25N5OS2.C23H21F3N4O.C23H22F2N4O.C23H25N5O3S/c1-16(2)32-27(36)17-5-6-21(28)20(12-17)26-22(29)7-8-23(33-26)25(35)13-18-14-31-10-9-24(18)34-11-3-4-19(30)15-34;26-17-3-1-11-30(15-17)20-9-10-28-14-16(20)13-21(31)25-18(27)5-6-19(29-25)22-7-8-24(33-22)23-4-2-12-32-23;24-16-4-1-5-17(25)22(16)23-18(26)6-7-19(29-23)21(31)11-14-12-28-9-8-20(14)30-10-2-3-15(27)13-30;24-18-6-2-1-5-17(18)23-19(25)7-8-20(28-23)22(30)12-15-13-27-10-9-21(15)29-11-3-4-16(26)14-29;24-15-2-1-7-28(12-15)18-5-6-26-11-14(18)10-19(29)21-16(25)3-4-17(27-21)23-22-20(13-32-23)30-8-9-31-22/h5-10,12,14,16,19H,3-4,11,13,15,30H2,1-2H3,(H,32,36);2,4-10,12,14,17H,1,3,11,13,15,26-27H2;1,4-9,12,15H,2-3,10-11,13,27H2;1-2,5-10,13,16H,3-4,11-12,14,26H2;3-6,11,13,15H,1-2,7-10,12,24-25H2/t19-;17-;15-;16-;15-/m00000/s1.
What are the key properties of 1-[3-amino-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(5-thiophen-2-ylthiophen-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[5-fluoro-6-(2-fluorophenyl)-2-pyridinyl]ethanone?
1-[3-amino-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(5-thiophen-2-ylthiophen-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[5-fluoro-6-(2-fluorophenyl)-2-pyridinyl]ethanone has a molecular weight of 2255.65 g/mol, XLogP of 19.38, 28 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(5-thiophen-2-ylthiophen-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[5-fluoro-6-(2-fluorophenyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 158309245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).