2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-(5-isocyanothiophen-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)-5-fluoro-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrimidin-4-yl]thiophen-2-yl]methanol;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(1,3-oxazol-2-yl)pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-3-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine;5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-thiophen-2-ylpyrimidin-4-amine

C116H110Cl4F6N32O2S4 — CID 159468113

About 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-(5-isocyanothiophen-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)-5-fluoro-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrimidin-4-yl]thiophen-2-yl]methanol;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(1,3-oxazol-2-yl)pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-3-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine;5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-thiophen-2-ylpyrimidin-4-amine

2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-(5-isocyanothiophen-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)-5-fluoro-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrimidin-4-yl]thiophen-2-yl]methanol;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(1,3-oxazol-2-yl)pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-3-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine;5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-thiophen-2-ylpyrimidin-4-amine (PubChem CID 159468113) has the molecular formula C116H110Cl4F6N32O2S4 and a molecular weight of 2368.45 g/mol. Its IUPAC name is 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-(5-isocyanothiophen-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)-5-fluoro-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrimidin-4-yl]thiophen-2-yl]methanol;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(1,3-oxazol-2-yl)pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-3-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine;5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-thiophen-2-ylpyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-(5-isocyanothiophen-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)-5-fluoro-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrimidin-4-yl]thiophen-2-yl]methanol;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(1,3-oxazol-2-yl)pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-3-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine;5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-thiophen-2-ylpyrimidin-4-amine
• PubChem CID: 159468113
• Molecular Formula: C116H110Cl4F6N32O2S4
• Molecular Weight: 2368.45 g/mol
• Exact Mass: 2364.70
• IUPAC Name: 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-(5-isocyanothiophen-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)-5-fluoro-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrimidin-4-yl]thiophen-2-yl]methanol;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(1,3-oxazol-2-yl)pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-3-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine;5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-thiophen-2-ylpyrimidin-4-amine
• SMILES: C[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(Cl)nc23)cc(-c2nccs2)c1F.C[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(Cl)nc23)nc(-c2ccc(CO)s2)c1F.C[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(Cl)nc23)nc(-c2ncco2)c1F.C[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)nc23)nc(-c2cccs2)c1F.[C-]#[N+]c1ccc(-c2nc(-c3c[nH]c4ncc(Cl)nc34)nc(N[C@H]3C4CCC(CC4)[C@@H]3C)c2F)s1
• InChI: InChI=1S/C24H21ClFN7S.C24H24ClFN6OS.C23H22ClFN6S.C23H22F2N6S.C22H21ClFN7O/c1-11-12-3-5-13(6-4-12)19(11)31-23-18(26)21(15-7-8-17(27-2)34-15)32-22(33-23)14-9-28-24-20(14)30-16(25)10-29-24;1-11-12-2-4-13(5-3-12)19(11)30-23-18(26)21(16-7-6-14(10-33)34-16)31-22(32-23)15-8-27-24-20(15)29-17(25)9-28-24;1-11-12-2-4-13(5-3-12)19(11)31-21-18(25)14(23-26-6-7-32-23)8-16(29-21)15-9-27-22-20(15)30-17(24)10-28-22;1-11-12-4-6-13(7-5-12)18(11)29-22-17(25)20(15-3-2-8-32-15)30-21(31-22)14-9-26-23-19(14)28-16(24)10-27-23;1-10-11-2-4-12(5-3-11)16(10)29-20-15(24)18(22-25-6-7-32-22)30-19(31-20)13-8-26-21-17(13)28-14(23)9-27-21/h7-13,19H,3-6H2,1H3,(H,28,29)(H,31,32,33);6-9,11-13,19,33H,2-5,10H2,1H3,(H,27,28)(H,30,31,32);6-13,19H,2-5H2,1H3,(H,27,28)(H,29,31);2-3,8-13,18H,4-7H2,1H3,(H,26,27)(H,29,30,31);6-12,16H,2-5H2,1H3,(H,26,27)(H,29,30,31)/t3*11-,12?,13?,19+;11-,12?,13?,18+;10-,11?,12?,16+/m00000/s1
• InChIKey: LVLHMSLDPPSXTE-VHMBKKNXSA-N
• XLogP: 29.32
• TPSA: 447.52 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 32
• Rotatable Bonds: 21
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2368.45
LogP ≤ 5	29.32
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-(5-isocyanothiophen-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)-5-fluoro-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrimidin-4-yl]thiophen-2-yl]methanol;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(1,3-oxazol-2-yl)pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-3-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine;5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-thiophen-2-ylpyrimidin-4-amine?

The IUPAC name of 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-(5-isocyanothiophen-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)-5-fluoro-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrimidin-4-yl]thiophen-2-yl]methanol;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(1,3-oxazol-2-yl)pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-3-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine;5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-thiophen-2-ylpyrimidin-4-amine (CID 159468113) is 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-(5-isocyanothiophen-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)-5-fluoro-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrimidin-4-yl]thiophen-2-yl]methanol;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(1,3-oxazol-2-yl)pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-3-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine;5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-thiophen-2-ylpyrimidin-4-amine.

What is the SMILES notation for 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-(5-isocyanothiophen-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)-5-fluoro-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrimidin-4-yl]thiophen-2-yl]methanol;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(1,3-oxazol-2-yl)pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-3-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine;5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-thiophen-2-ylpyrimidin-4-amine?

The canonical SMILES for 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-(5-isocyanothiophen-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)-5-fluoro-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrimidin-4-yl]thiophen-2-yl]methanol;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(1,3-oxazol-2-yl)pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-3-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine;5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-thiophen-2-ylpyrimidin-4-amine is C[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(Cl)nc23)cc(-c2nccs2)c1F.C[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(Cl)nc23)nc(-c2ccc(CO)s2)c1F.C[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(Cl)nc23)nc(-c2ncco2)c1F.C[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)nc23)nc(-c2cccs2)c1F.[C-]#[N+]c1ccc(-c2nc(-c3c[nH]c4ncc(Cl)nc34)nc(N[C@H]3C4CCC(CC4)[C@@H]3C)c2F)s1.

What is the InChIKey of 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-(5-isocyanothiophen-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)-5-fluoro-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrimidin-4-yl]thiophen-2-yl]methanol;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(1,3-oxazol-2-yl)pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-3-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine;5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-thiophen-2-ylpyrimidin-4-amine?

The InChIKey is LVLHMSLDPPSXTE-VHMBKKNXSA-N. The full InChI is InChI=1S/C24H21ClFN7S.C24H24ClFN6OS.C23H22ClFN6S.C23H22F2N6S.C22H21ClFN7O/c1-11-12-3-5-13(6-4-12)19(11)31-23-18(26)21(15-7-8-17(27-2)34-15)32-22(33-23)14-9-28-24-20(14)30-16(25)10-29-24;1-11-12-2-4-13(5-3-12)19(11)30-23-18(26)21(16-7-6-14(10-33)34-16)31-22(32-23)15-8-27-24-20(15)29-17(25)9-28-24;1-11-12-2-4-13(5-3-12)19(11)31-21-18(25)14(23-26-6-7-32-23)8-16(29-21)15-9-27-22-20(15)30-17(24)10-28-22;1-11-12-4-6-13(7-5-12)18(11)29-22-17(25)20(15-3-2-8-32-15)30-21(31-22)14-9-26-23-19(14)28-16(24)10-27-23;1-10-11-2-4-12(5-3-11)16(10)29-20-15(24)18(22-25-6-7-32-22)30-19(31-20)13-8-26-21-17(13)28-14(23)9-27-21/h7-13,19H,3-6H2,1H3,(H,28,29)(H,31,32,33);6-9,11-13,19,33H,2-5,10H2,1H3,(H,27,28)(H,30,31,32);6-13,19H,2-5H2,1H3,(H,27,28)(H,29,31);2-3,8-13,18H,4-7H2,1H3,(H,26,27)(H,29,30,31);6-12,16H,2-5H2,1H3,(H,26,27)(H,29,30,31)/t3*11-,12?,13?,19+;11-,12?,13?,18+;10-,11?,12?,16+/m00000/s1.

What are the key properties of 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-(5-isocyanothiophen-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)-5-fluoro-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrimidin-4-yl]thiophen-2-yl]methanol;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(1,3-oxazol-2-yl)pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-3-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine;5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-thiophen-2-ylpyrimidin-4-amine?

2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-(5-isocyanothiophen-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)-5-fluoro-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrimidin-4-yl]thiophen-2-yl]methanol;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(1,3-oxazol-2-yl)pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-3-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine;5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-thiophen-2-ylpyrimidin-4-amine has a molecular weight of 2368.45 g/mol, XLogP of 29.32, 21 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-(5-isocyanothiophen-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)-5-fluoro-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrimidin-4-yl]thiophen-2-yl]methanol;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(1,3-oxazol-2-yl)pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-3-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine;5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-thiophen-2-ylpyrimidin-4-amine is sourced from PubChem (CID 159468113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).