2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(2-methylphenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone

C64H61F5N14O3S — CID 157462247

IUPAC2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(2-methylphenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone
SMILESCc1ccccc1-c1ccc(N)c(CC(=O)N2CCC(c3ncc(F)cn3)C2)n1.Cc1cnc(C2CCN(C(=O)Cc3nc(-c4ccc(F)cc4F)ccc3N)C2)s1.Nc1ccc(-c2ccc(F)cc2)nc1CC(=O)N1CCC(c2ncc(F)cn2)C1
InChIInChI=1S/C22H22FN5O.C21H19F2N5O.C21H20F2N4OS/c1-14-4-2-3-5-17(14)19-7-6-18(24)20(27-19)10-21(29)28-9-8-15(13-28)22-25-11-16(23)12-26-22;22-15-3-1-13(2-4-15)18-6-5-17(24)19(27-18)9-20(29)28-8-7-14(12-28)21-25-10-16(23)11-26-21;1-12-10-25-21(29-12)13-6-7-27(11-13)20(28)9-19-17(24)4-5-18(26-19)15-3-2-14(22)8-16(15)23/h2-7,11-12,15H,8-10,13,24H2,1H3;1-6,10-11,14H,7-9,12,24H2;2-5,8,10,13H,6-7,9,11,24H2,1H3
InChIKeyBUBDCXVQGFIEEU-UHFFFAOYSA-N
MW1201.34 g/mol
LogP10.02
Rot. Bonds12

About 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(2-methylphenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone

2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(2-methylphenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 157462247) has the molecular formula C64H61F5N14O3S and a molecular weight of 1201.34 g/mol. Its IUPAC name is 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(2-methylphenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(2-methylphenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID157462247
Molecular FormulaC64H61F5N14O3S
Molecular Weight1201.34 g/mol
Exact Mass1200.47
IUPAC Name2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(2-methylphenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone
SMILESCc1ccccc1-c1ccc(N)c(CC(=O)N2CCC(c3ncc(F)cn3)C2)n1.Cc1cnc(C2CCN(C(=O)Cc3nc(-c4ccc(F)cc4F)ccc3N)C2)s1.Nc1ccc(-c2ccc(F)cc2)nc1CC(=O)N1CCC(c2ncc(F)cn2)C1
InChIInChI=1S/C22H22FN5O.C21H19F2N5O.C21H20F2N4OS/c1-14-4-2-3-5-17(14)19-7-6-18(24)20(27-19)10-21(29)28-9-8-15(13-28)22-25-11-16(23)12-26-22;22-15-3-1-13(2-4-15)18-6-5-17(24)19(27-18)9-20(29)28-8-7-14(12-28)21-25-10-16(23)11-26-21;1-12-10-25-21(29-12)13-6-7-27(11-13)20(28)9-19-17(24)4-5-18(26-19)15-3-2-14(22)8-16(15)23/h2-7,11-12,15H,8-10,13,24H2,1H3;1-6,10-11,14H,7-9,12,24H2;2-5,8,10,13H,6-7,9,11,24H2,1H3
InChIKeyBUBDCXVQGFIEEU-UHFFFAOYSA-N
XLogP10.02
TPSA242.11 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001201.34
LogP ≤ 510.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(2-methylphenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

2-[2-amino-8-(4-fluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]purin-9-yl]-2,3-bis[4-[2-amino-8-(4-fluorophenyl)-9H-purin-6-yl]piperazin-1-yl]-N-pyridin-2-yl-N'-(1,3-thiazol-2-yl)butanediamide
CID 87282612
ethane;[5-methyl-2-(3-methylimidazol-4-yl)phenyl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone;[5-methyl-2-(1,3-thiazol-5-yl)phenyl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 144902963
1-[4-[2-[3,5-Bis(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-c]pyridin-1-ylethanone;1-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-c]pyridin-3-ylethanone;methane
CID 157674150
1-[3-Fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(3-fluoro-2-pyridinyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone
CID 158079777
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158792541
8-(cyclopropylmethyl)-6-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-8-ethyl-6-[2-(1,3-thiazol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-propan-2-yl-6-[4-(3H-pyrrol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 158969635
N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[[2-(trifluoromethyl)pyrimidin-5-yl]methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide
CID 159518111
6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-6-pyrrolidin-2-yl-3-pyridinyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyrrolidin-3-ylpyrimidin-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 160148861
(2-Fluoro-6-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 160476341
6-(5-Cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[4-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one
CID 161198501
[3,3-dimethyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone;[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2R,3S)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone;[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone;[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone
CID 161680983
4-[6-amino-9-[3-[[(E)-4-(dimethylamino)but-2-enoyl]-methylamino]phenyl]-8-oxopurin-7-yl]-N-pyridin-2-ylbenzamide;4-[6-amino-9-[3-[methyl(prop-2-enoyl)amino]phenyl]-8-oxopurin-7-yl]-N-pyridin-2-ylbenzamide;(E)-N-[3-[6-amino-8-oxo-7-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]purin-9-yl]phenyl]-4-(dimethylamino)-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]purin-9-yl]phenyl]-4-(dimethylamino)-N-methylbut-2-enamide
CID 161734112

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(2-methylphenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(2-methylphenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone (CID 157462247) is 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(2-methylphenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(2-methylphenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(2-methylphenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone is Cc1ccccc1-c1ccc(N)c(CC(=O)N2CCC(c3ncc(F)cn3)C2)n1.Cc1cnc(C2CCN(C(=O)Cc3nc(-c4ccc(F)cc4F)ccc3N)C2)s1.Nc1ccc(-c2ccc(F)cc2)nc1CC(=O)N1CCC(c2ncc(F)cn2)C1.
What is the InChIKey of 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(2-methylphenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is BUBDCXVQGFIEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O.C21H19F2N5O.C21H20F2N4OS/c1-14-4-2-3-5-17(14)19-7-6-18(24)20(27-19)10-21(29)28-9-8-15(13-28)22-25-11-16(23)12-26-22;22-15-3-1-13(2-4-15)18-6-5-17(24)19(27-18)9-20(29)28-8-7-14(12-28)21-25-10-16(23)11-26-21;1-12-10-25-21(29-12)13-6-7-27(11-13)20(28)9-19-17(24)4-5-18(26-19)15-3-2-14(22)8-16(15)23/h2-7,11-12,15H,8-10,13,24H2,1H3;1-6,10-11,14H,7-9,12,24H2;2-5,8,10,13H,6-7,9,11,24H2,1H3.
What are the key properties of 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(2-methylphenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(2-methylphenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 1201.34 g/mol, XLogP of 10.02, 12 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(2-methylphenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 157462247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).