3-chloro-7-[5-fluoro-4-(furan-2-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-thiophen-3-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-pyridin-2-ylpentanoic acid;3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-(3H-pyrrol-2-yl)pentanoic acid;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl (2S,3S)-3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylate

C126H115Cl5F4N30O9S4 — CID 159742101

About 3-chloro-7-[5-fluoro-4-(furan-2-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-thiophen-3-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-pyridin-2-ylpentanoic acid;3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-(3H-pyrrol-2-yl)pentanoic acid;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl (2S,3S)-3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylate

3-chloro-7-[5-fluoro-4-(furan-2-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-thiophen-3-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-pyridin-2-ylpentanoic acid;3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-(3H-pyrrol-2-yl)pentanoic acid;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl (2S,3S)-3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylate (PubChem CID 159742101) has the molecular formula C126H115Cl5F4N30O9S4 and a molecular weight of 2575.03 g/mol. Its IUPAC name is 3-chloro-7-[5-fluoro-4-(furan-2-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-thiophen-3-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-pyridin-2-ylpentanoic acid;3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-(3H-pyrrol-2-yl)pentanoic acid;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl (2S,3S)-3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylate.

Molecular Properties

• Compound Name: 3-chloro-7-[5-fluoro-4-(furan-2-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-thiophen-3-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-pyridin-2-ylpentanoic acid;3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-(3H-pyrrol-2-yl)pentanoic acid;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl (2S,3S)-3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylate
• PubChem CID: 159742101
• Molecular Formula: C126H115Cl5F4N30O9S4
• Molecular Weight: 2575.03 g/mol
• Exact Mass: 2570.67
• IUPAC Name: 3-chloro-7-[5-fluoro-4-(furan-2-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-thiophen-3-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-pyridin-2-ylpentanoic acid;3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-(3H-pyrrol-2-yl)pentanoic acid;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl (2S,3S)-3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylate
• SMILES: C=C1OC(C)=C(COC(=O)[C@H]2C3CCC(CC3)[C@@H]2Nc2nc(-c3c[nH]c4ncc(Cl)nc34)nc(-c3cccs3)c2F)O1.CC(C)(C1=NC=CC1)C(CC(=O)O)Nc1nc(-c2c[nH]c3ncc(Cl)nc23)nc(-c2cccs2)c1F.CC(C)(c1ccccn1)C(CC(=O)O)Nc1nc(-c2c[nH]c3ncc(Cl)nc23)nc(-c2cccs2)c1F.C[C@H]1C2CCC(CC2)[C@@H]1Cc1cc(-c2ccsc2)nc(-c2c[nH]c3ncc(Cl)nc23)n1.C[C@H]1C2CCC(CC2)[C@@H]1Cc1nc(-c2c[nH]c3nc(Cl)cnc23)nc(-c2ccco2)c1F
• InChI: InChI=1S/C29H26ClFN6O4S.C25H21ClFN7O2S.C24H21ClFN7O2S.C24H23ClFN5O.C24H24ClN5S/c1-13-18(41-14(2)40-13)12-39-29(38)21-15-5-7-16(8-6-15)23(21)35-27-22(31)25(19-4-3-9-42-19)36-26(37-27)17-10-32-28-24(17)34-20(30)11-33-28;1-25(2,15-7-3-4-8-28-15)16(10-18(35)36)31-23-19(27)21(14-6-5-9-37-14)33-22(34-23)13-11-29-24-20(13)32-17(26)12-30-24;1-24(2,14-6-3-7-27-14)15(9-17(34)35)30-22-18(26)20(13-5-4-8-36-13)32-21(33-22)12-10-28-23-19(12)31-16(25)11-29-23;1-12-13-4-6-14(7-5-13)15(12)9-17-20(26)22(18-3-2-8-32-18)31-23(29-17)16-10-28-24-21(16)27-11-19(25)30-24;1-13-14-2-4-15(5-3-14)18(13)8-17-9-20(16-6-7-31-12-16)29-23(28-17)19-10-26-24-22(19)30-21(25)11-27-24/h3-4,9-11,15-16,21,23H,2,5-8,12H2,1H3,(H,32,33)(H,35,36,37);3-9,11-12,16H,10H2,1-2H3,(H,29,30)(H,35,36)(H,31,33,34);3-5,7-8,10-11,15H,6,9H2,1-2H3,(H,28,29)(H,34,35)(H,30,32,33);2-3,8,10-15H,4-7,9H2,1H3,(H,28,30);6-7,9-15,18H,2-5,8H2,1H3,(H,26,27)/t15?,16?,21-,23-;;;12-,13?,14?,15+;13-,14?,15?,18+/m0..00/s1
• InChIKey: NCOXRZUFYQJKAK-KLJRSLMPSA-N
• XLogP: 30.08
• TPSA: 530.59 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 31
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2575.03
LogP ≤ 5	30.08
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-[5-fluoro-4-(furan-2-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-thiophen-3-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-pyridin-2-ylpentanoic acid;3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-(3H-pyrrol-2-yl)pentanoic acid;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl (2S,3S)-3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylate?

The IUPAC name of 3-chloro-7-[5-fluoro-4-(furan-2-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-thiophen-3-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-pyridin-2-ylpentanoic acid;3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-(3H-pyrrol-2-yl)pentanoic acid;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl (2S,3S)-3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylate (CID 159742101) is 3-chloro-7-[5-fluoro-4-(furan-2-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-thiophen-3-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-pyridin-2-ylpentanoic acid;3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-(3H-pyrrol-2-yl)pentanoic acid;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl (2S,3S)-3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylate.

What is the SMILES notation for 3-chloro-7-[5-fluoro-4-(furan-2-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-thiophen-3-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-pyridin-2-ylpentanoic acid;3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-(3H-pyrrol-2-yl)pentanoic acid;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl (2S,3S)-3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylate?

The canonical SMILES for 3-chloro-7-[5-fluoro-4-(furan-2-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-thiophen-3-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-pyridin-2-ylpentanoic acid;3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-(3H-pyrrol-2-yl)pentanoic acid;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl (2S,3S)-3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylate is C=C1OC(C)=C(COC(=O)[C@H]2C3CCC(CC3)[C@@H]2Nc2nc(-c3c[nH]c4ncc(Cl)nc34)nc(-c3cccs3)c2F)O1.CC(C)(C1=NC=CC1)C(CC(=O)O)Nc1nc(-c2c[nH]c3ncc(Cl)nc23)nc(-c2cccs2)c1F.CC(C)(c1ccccn1)C(CC(=O)O)Nc1nc(-c2c[nH]c3ncc(Cl)nc23)nc(-c2cccs2)c1F.C[C@H]1C2CCC(CC2)[C@@H]1Cc1cc(-c2ccsc2)nc(-c2c[nH]c3ncc(Cl)nc23)n1.C[C@H]1C2CCC(CC2)[C@@H]1Cc1nc(-c2c[nH]c3nc(Cl)cnc23)nc(-c2ccco2)c1F.

What is the InChIKey of 3-chloro-7-[5-fluoro-4-(furan-2-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-thiophen-3-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-pyridin-2-ylpentanoic acid;3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-(3H-pyrrol-2-yl)pentanoic acid;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl (2S,3S)-3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylate?

The InChIKey is NCOXRZUFYQJKAK-KLJRSLMPSA-N. The full InChI is InChI=1S/C29H26ClFN6O4S.C25H21ClFN7O2S.C24H21ClFN7O2S.C24H23ClFN5O.C24H24ClN5S/c1-13-18(41-14(2)40-13)12-39-29(38)21-15-5-7-16(8-6-15)23(21)35-27-22(31)25(19-4-3-9-42-19)36-26(37-27)17-10-32-28-24(17)34-20(30)11-33-28;1-25(2,15-7-3-4-8-28-15)16(10-18(35)36)31-23-19(27)21(14-6-5-9-37-14)33-22(34-23)13-11-29-24-20(13)32-17(26)12-30-24;1-24(2,14-6-3-7-27-14)15(9-17(34)35)30-22-18(26)20(13-5-4-8-36-13)32-21(33-22)12-10-28-23-19(12)31-16(25)11-29-23;1-12-13-4-6-14(7-5-13)15(12)9-17-20(26)22(18-3-2-8-32-18)31-23(29-17)16-10-28-24-21(16)27-11-19(25)30-24;1-13-14-2-4-15(5-3-14)18(13)8-17-9-20(16-6-7-31-12-16)29-23(28-17)19-10-26-24-22(19)30-21(25)11-27-24/h3-4,9-11,15-16,21,23H,2,5-8,12H2,1H3,(H,32,33)(H,35,36,37);3-9,11-12,16H,10H2,1-2H3,(H,29,30)(H,35,36)(H,31,33,34);3-5,7-8,10-11,15H,6,9H2,1-2H3,(H,28,29)(H,34,35)(H,30,32,33);2-3,8,10-15H,4-7,9H2,1H3,(H,28,30);6-7,9-15,18H,2-5,8H2,1H3,(H,26,27)/t15?,16?,21-,23-;;;12-,13?,14?,15+;13-,14?,15?,18+/m0..00/s1.

What are the key properties of 3-chloro-7-[5-fluoro-4-(furan-2-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-thiophen-3-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-pyridin-2-ylpentanoic acid;3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-(3H-pyrrol-2-yl)pentanoic acid;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl (2S,3S)-3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylate?

3-chloro-7-[5-fluoro-4-(furan-2-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-thiophen-3-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-pyridin-2-ylpentanoic acid;3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-(3H-pyrrol-2-yl)pentanoic acid;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl (2S,3S)-3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylate has a molecular weight of 2575.03 g/mol, XLogP of 30.08, 31 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-7-[5-fluoro-4-(furan-2-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-thiophen-3-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-pyridin-2-ylpentanoic acid;3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-(3H-pyrrol-2-yl)pentanoic acid;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl (2S,3S)-3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylate is sourced from PubChem (CID 159742101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).