About 2-chloro-7-[4-imidazol-1-yl-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-pyrrol-1-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(5-cyclopropylthiophen-2-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;[5-[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrimidin-4-yl]furan-2-yl] formate;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine
2-chloro-7-[4-imidazol-1-yl-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-pyrrol-1-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(5-cyclopropylthiophen-2-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;[5-[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrimidin-4-yl]furan-2-yl] formate;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine (PubChem CID 157154025) has the molecular formula C121H124Cl5N31O3S2
and a molecular weight of 2301.94 g/mol. Its IUPAC name is 2-chloro-7-[4-imidazol-1-yl-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-pyrrol-1-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(5-cyclopropylthiophen-2-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;[5-[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrimidin-4-yl]furan-2-yl] formate;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine.
Frequently Asked Questions
What is the IUPAC name of 2-chloro-7-[4-imidazol-1-yl-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-pyrrol-1-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(5-cyclopropylthiophen-2-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;[5-[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrimidin-4-yl]furan-2-yl] formate;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-7-[4-imidazol-1-yl-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-pyrrol-1-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(5-cyclopropylthiophen-2-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;[5-[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrimidin-4-yl]furan-2-yl] formate;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine (CID 157154025) is 2-chloro-7-[4-imidazol-1-yl-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-pyrrol-1-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(5-cyclopropylthiophen-2-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;[5-[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrimidin-4-yl]furan-2-yl] formate;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-7-[4-imidazol-1-yl-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-pyrrol-1-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(5-cyclopropylthiophen-2-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;[5-[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrimidin-4-yl]furan-2-yl] formate;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-7-[4-imidazol-1-yl-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-pyrrol-1-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(5-cyclopropylthiophen-2-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;[5-[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrimidin-4-yl]furan-2-yl] formate;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine is C[C@H]1C2CCC(CC2)[C@@H]1Cc1cc(-n2cccc2)nc(-c2c[nH]c3ncc(Cl)nc23)n1.C[C@H]1C2CCC(CC2)[C@@H]1Cc1cc(-n2ccnc2)nc(-c2c[nH]c3ncc(Cl)nc23)n1.C[C@H]1C2CCC(CC2)[C@@H]1Nc1cc(-c2ccc(C3CC3)s2)nc(-c2c[nH]c3ncc(Cl)nc23)n1.C[C@H]1C2CCC(CC2)[C@@H]1Nc1cc(-c2ccc(OC=O)o2)nc(-c2c[nH]c3ncc(Cl)nc23)n1.Cc1ccc(-c2cc(N[C@H]3C4CCC(CC4)[C@@H]3C)nc(-c3c[nH]c4ncc(Cl)nc34)n2)s1.
What is the InChIKey of 2-chloro-7-[4-imidazol-1-yl-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-pyrrol-1-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(5-cyclopropylthiophen-2-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;[5-[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrimidin-4-yl]furan-2-yl] formate;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine?
The InChIKey is ALPFOYJRJXODIH-ZQKGGMEJSA-N. The full InChI is InChI=1S/C26H27ClN6S.C24H23ClN6O3.C24H25ClN6S.C24H25ClN6.C23H24ClN7/c1-13-14-2-6-16(7-3-14)23(13)32-22-10-18(20-9-8-19(34-20)15-4-5-15)30-25(33-22)17-11-28-26-24(17)31-21(27)12-29-26;1-12-13-2-4-14(5-3-13)21(12)30-19-8-16(17-6-7-20(34-17)33-11-32)28-23(31-19)15-9-26-24-22(15)29-18(25)10-27-24;1-12-3-8-18(32-12)17-9-20(30-21-13(2)14-4-6-15(21)7-5-14)31-23(28-17)16-10-26-24-22(16)29-19(25)11-27-24;1-14-15-4-6-16(7-5-15)18(14)10-17-11-21(31-8-2-3-9-31)30-23(28-17)19-12-26-24-22(19)29-20(25)13-27-24;1-13-14-2-4-15(5-3-14)17(13)8-16-9-20(31-7-6-25-12-31)30-22(28-16)18-10-26-23-21(18)29-19(24)11-27-23/h8-16,23H,2-7H2,1H3,(H,28,29)(H,30,32,33);6-14,21H,2-5H2,1H3,(H,26,27)(H,28,30,31);3,8-11,13-15,21H,4-7H2,1-2H3,(H,26,27)(H,28,30,31);2-3,8-9,11-16,18H,4-7,10H2,1H3,(H,26,27);6-7,9-15,17H,2-5,8H2,1H3,(H,26,27)/t13-,14?,16?,23+;12-,13?,14?,21+;13-,14?,15?,21+;14-,15?,16?,18+;13-,14?,15?,17+/m00000/s1.
What are the key properties of 2-chloro-7-[4-imidazol-1-yl-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-pyrrol-1-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(5-cyclopropylthiophen-2-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;[5-[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrimidin-4-yl]furan-2-yl] formate;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine?
2-chloro-7-[4-imidazol-1-yl-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-pyrrol-1-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(5-cyclopropylthiophen-2-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;[5-[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrimidin-4-yl]furan-2-yl] formate;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine has a molecular weight of 2301.94 g/mol, XLogP of 28.70, 23 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[4-imidazol-1-yl-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-pyrrol-1-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(5-cyclopropylthiophen-2-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;[5-[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrimidin-4-yl]furan-2-yl] formate;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 157154025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).