3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-fluoro-2-morpholin-4-ylquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide

C121H133F8N45O9 — CID 161235201

About 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-fluoro-2-morpholin-4-ylquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide

3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-fluoro-2-morpholin-4-ylquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide (PubChem CID 161235201) has the molecular formula C121H133F8N45O9 and a molecular weight of 2513.68 g/mol. Its IUPAC name is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-fluoro-2-morpholin-4-ylquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-fluoro-2-morpholin-4-ylquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
• PubChem CID: 161235201
• Molecular Formula: C121H133F8N45O9
• Molecular Weight: 2513.68 g/mol
• Exact Mass: 2512.12
• IUPAC Name: 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-fluoro-2-morpholin-4-ylquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
• SMILES: CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(C(N)=O)ncc3F)cnc2N)CC1.CCOc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1C(F)(F)F.Cc1cc2c(-c3cnc(N)c(C(=O)Nc4ncccc4N4CCC(N)CC4)n3)cccc2[nH]1.Nc1ncc(-c2nc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.Nc1ncc(-c2nc(N3CCOCC3)nc3ccc(F)cc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1
• InChI: InChI=1S/C27H29FN10O2.C25H28F3N9O2.C24H27F3N8O2.C24H26N8O.C21H23FN10O2/c28-16-3-4-19-18(14-16)22(35-27(34-19)38-10-12-40-13-11-38)20-15-32-24(30)23(33-20)26(39)36-25-21(2-1-7-31-25)37-8-5-17(29)6-9-37;26-25(27,28)16-3-4-19(37-10-12-39-13-11-37)34-20(16)17-14-32-22(30)21(33-17)24(38)35-23-18(2-1-7-31-23)36-8-5-15(29)6-9-36;1-3-37-16-6-10-30-18(17(16)24(25,26)27)14-13-32-20(28)19(33-14)22(36)34-21-15(5-4-9-31-21)35-11-7-23(2,29)8-12-35;1-14-12-17-16(4-2-5-18(17)29-14)19-13-28-22(26)21(30-19)24(33)31-23-20(6-3-9-27-23)32-10-7-15(25)8-11-32;1-21(25)4-7-32(8-5-21)13-3-2-6-26-18(13)31-20(34)15-16(23)27-10-12(29-15)14-11(22)9-28-19(30-14)17(24)33/h1-4,7,14-15,17H,5-6,8-13,29H2,(H2,30,32)(H,31,36,39);1-4,7,14-15H,5-6,8-13,29H2,(H2,30,32)(H,31,35,38);4-6,9-10,13H,3,7-8,11-12,29H2,1-2H3,(H2,28,32)(H,31,34,36);2-6,9,12-13,15,29H,7-8,10-11,25H2,1H3,(H2,26,28)(H,27,31,33);2-3,6,9-10H,4-5,7-8,25H2,1H3,(H2,23,27)(H2,24,33)(H,26,31,34)
• InChIKey: UZGUHOYOFNNVEN-UHFFFAOYSA-N
• XLogP: 12.08
• TPSA: 785.64 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 47
• Rotatable Bonds: 25
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2513.68
LogP ≤ 5	12.08
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-fluoro-2-morpholin-4-ylquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?

The IUPAC name of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-fluoro-2-morpholin-4-ylquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide (CID 161235201) is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-fluoro-2-morpholin-4-ylquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-fluoro-2-morpholin-4-ylquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?

The canonical SMILES for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-fluoro-2-morpholin-4-ylquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide is CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(C(N)=O)ncc3F)cnc2N)CC1.CCOc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1C(F)(F)F.Cc1cc2c(-c3cnc(N)c(C(=O)Nc4ncccc4N4CCC(N)CC4)n3)cccc2[nH]1.Nc1ncc(-c2nc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.Nc1ncc(-c2nc(N3CCOCC3)nc3ccc(F)cc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.

What is the InChIKey of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-fluoro-2-morpholin-4-ylquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?

The InChIKey is UZGUHOYOFNNVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN10O2.C25H28F3N9O2.C24H27F3N8O2.C24H26N8O.C21H23FN10O2/c28-16-3-4-19-18(14-16)22(35-27(34-19)38-10-12-40-13-11-38)20-15-32-24(30)23(33-20)26(39)36-25-21(2-1-7-31-25)37-8-5-17(29)6-9-37;26-25(27,28)16-3-4-19(37-10-12-39-13-11-37)34-20(16)17-14-32-22(30)21(33-17)24(38)35-23-18(2-1-7-31-23)36-8-5-15(29)6-9-36;1-3-37-16-6-10-30-18(17(16)24(25,26)27)14-13-32-20(28)19(33-14)22(36)34-21-15(5-4-9-31-21)35-11-7-23(2,29)8-12-35;1-14-12-17-16(4-2-5-18(17)29-14)19-13-28-22(26)21(30-19)24(33)31-23-20(6-3-9-27-23)32-10-7-15(25)8-11-32;1-21(25)4-7-32(8-5-21)13-3-2-6-26-18(13)31-20(34)15-16(23)27-10-12(29-15)14-11(22)9-28-19(30-14)17(24)33/h1-4,7,14-15,17H,5-6,8-13,29H2,(H2,30,32)(H,31,36,39);1-4,7,14-15H,5-6,8-13,29H2,(H2,30,32)(H,31,35,38);4-6,9-10,13H,3,7-8,11-12,29H2,1-2H3,(H2,28,32)(H,31,34,36);2-6,9,12-13,15,29H,7-8,10-11,25H2,1H3,(H2,26,28)(H,27,31,33);2-3,6,9-10H,4-5,7-8,25H2,1H3,(H2,23,27)(H2,24,33)(H,26,31,34).

What are the key properties of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-fluoro-2-morpholin-4-ylquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?

3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-fluoro-2-morpholin-4-ylquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 2513.68 g/mol, XLogP of 12.08, 25 rotatable bonds, 17 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-fluoro-2-morpholin-4-ylquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 161235201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).