2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidine-4-carboxamide;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidine-4-carboxylic acid;[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]methanol

C97H80Cl5F6N31O4 — CID 159798539

About 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidine-4-carboxamide;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidine-4-carboxylic acid;[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]methanol

2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidine-4-carboxamide;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidine-4-carboxylic acid;[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]methanol (PubChem CID 159798539) has the molecular formula C97H80Cl5F6N31O4 and a molecular weight of 2035.17 g/mol. Its IUPAC name is 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidine-4-carboxamide;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidine-4-carboxylic acid;[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]methanol.

Molecular Properties

• Compound Name: 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidine-4-carboxamide;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidine-4-carboxylic acid;[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]methanol
• PubChem CID: 159798539
• Molecular Formula: C97H80Cl5F6N31O4
• Molecular Weight: 2035.17 g/mol
• Exact Mass: 2031.54
• IUPAC Name: 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidine-4-carboxamide;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidine-4-carboxylic acid;[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]methanol
• SMILES: C[C@H](Nc1cc(C(=O)O)nc(-c2c[nH]c3ncc(Cl)nc23)n1)c1ccc(F)cc1.C[C@H](Nc1cc(C(N)=O)nc(-c2c[nH]c3ncc(Cl)nc23)n1)c1ccc(F)cc1.C[C@H](Nc1cc(CN(C)C)nc(-c2c[nH]c3ncc(Cl)nc23)n1)c1ccc(F)cc1.C[C@H](Nc1cc(CO)nc(-c2c[nH]c3ncc(Cl)nc23)n1)c1ccc(F)cc1.C[C@H](Nc1ccc(F)c(-c2c[nH]c3ncc(Cl)nc23)n1)c1ccc(F)cc1
• InChI: InChI=1S/C21H21ClFN7.C19H14ClF2N5.C19H15ClFN7O.C19H14ClFN6O2.C19H16ClFN6O/c1-12(13-4-6-14(23)7-5-13)26-18-8-15(11-30(2)3)27-20(29-18)16-9-24-21-19(16)28-17(22)10-25-21;1-10(11-2-4-12(21)5-3-11)25-16-7-6-14(22)17(27-16)13-8-23-19-18(13)26-15(20)9-24-19;1-9(10-2-4-11(21)5-3-10)25-15-6-13(17(22)29)26-18(28-15)12-7-23-19-16(12)27-14(20)8-24-19;1-9(10-2-4-11(21)5-3-10)24-15-6-13(19(28)29)25-17(27-15)12-7-22-18-16(12)26-14(20)8-23-18;1-10(11-2-4-12(21)5-3-11)24-16-6-13(9-28)25-18(27-16)14-7-22-19-17(14)26-15(20)8-23-19/h4-10,12H,11H2,1-3H3,(H,24,25)(H,26,27,29);2-10H,1H3,(H,23,24)(H,25,27);2-9H,1H3,(H2,22,29)(H,23,24)(H,25,26,28);2-9H,1H3,(H,22,23)(H,28,29)(H,24,25,27);2-8,10,28H,9H2,1H3,(H,22,23)(H,24,25,27)/t12-;10-;2*9-;10-/m00000/s1
• InChIKey: NJMDYIFYWUESFC-UUIRVNDNSA-N
• XLogP: 21.00
• TPSA: 487.87 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 28
• Rotatable Bonds: 25
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2035.17
LogP ≤ 5	21.00
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidine-4-carboxamide;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidine-4-carboxylic acid;[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]methanol?

The IUPAC name of 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidine-4-carboxamide;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidine-4-carboxylic acid;[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]methanol (CID 159798539) is 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidine-4-carboxamide;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidine-4-carboxylic acid;[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]methanol.

What is the SMILES notation for 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidine-4-carboxamide;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidine-4-carboxylic acid;[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]methanol?

The canonical SMILES for 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidine-4-carboxamide;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidine-4-carboxylic acid;[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]methanol is C[C@H](Nc1cc(C(=O)O)nc(-c2c[nH]c3ncc(Cl)nc23)n1)c1ccc(F)cc1.C[C@H](Nc1cc(C(N)=O)nc(-c2c[nH]c3ncc(Cl)nc23)n1)c1ccc(F)cc1.C[C@H](Nc1cc(CN(C)C)nc(-c2c[nH]c3ncc(Cl)nc23)n1)c1ccc(F)cc1.C[C@H](Nc1cc(CO)nc(-c2c[nH]c3ncc(Cl)nc23)n1)c1ccc(F)cc1.C[C@H](Nc1ccc(F)c(-c2c[nH]c3ncc(Cl)nc23)n1)c1ccc(F)cc1.

What is the InChIKey of 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidine-4-carboxamide;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidine-4-carboxylic acid;[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]methanol?

The InChIKey is NJMDYIFYWUESFC-UUIRVNDNSA-N. The full InChI is InChI=1S/C21H21ClFN7.C19H14ClF2N5.C19H15ClFN7O.C19H14ClFN6O2.C19H16ClFN6O/c1-12(13-4-6-14(23)7-5-13)26-18-8-15(11-30(2)3)27-20(29-18)16-9-24-21-19(16)28-17(22)10-25-21;1-10(11-2-4-12(21)5-3-11)25-16-7-6-14(22)17(27-16)13-8-23-19-18(13)26-15(20)9-24-19;1-9(10-2-4-11(21)5-3-10)25-15-6-13(17(22)29)26-18(28-15)12-7-23-19-16(12)27-14(20)8-24-19;1-9(10-2-4-11(21)5-3-10)24-15-6-13(19(28)29)25-17(27-15)12-7-22-18-16(12)26-14(20)8-23-18;1-10(11-2-4-12(21)5-3-11)24-16-6-13(9-28)25-18(27-16)14-7-22-19-17(14)26-15(20)8-23-19/h4-10,12H,11H2,1-3H3,(H,24,25)(H,26,27,29);2-10H,1H3,(H,23,24)(H,25,27);2-9H,1H3,(H2,22,29)(H,23,24)(H,25,26,28);2-9H,1H3,(H,22,23)(H,28,29)(H,24,25,27);2-8,10,28H,9H2,1H3,(H,22,23)(H,24,25,27)/t12-;10-;2*9-;10-/m00000/s1.

What are the key properties of 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidine-4-carboxamide;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidine-4-carboxylic acid;[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]methanol?

2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidine-4-carboxamide;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidine-4-carboxylic acid;[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]methanol has a molecular weight of 2035.17 g/mol, XLogP of 21.00, 25 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidine-4-carboxamide;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidine-4-carboxylic acid;[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]methanol is sourced from PubChem (CID 159798539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).