3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide

C116H124ClF3N46O7 — CID 159633493

About 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide

3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide (PubChem CID 159633493) has the molecular formula C116H124ClF3N46O7 and a molecular weight of 2367.03 g/mol. Its IUPAC name is 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide
• PubChem CID: 159633493
• Molecular Formula: C116H124ClF3N46O7
• Molecular Weight: 2367.03 g/mol
• Exact Mass: 2365.04
• IUPAC Name: 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide
• SMILES: CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(C#N)ncc3C(F)(F)F)cnc2N)CC1.CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(N)ncc3Cl)cnc2N)CC1.COc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1C#N.Nc1ncc(-c2cccc3[nH]ccc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.Nc1ncc(-c2nc(N3CCOCC3)cc3ccccc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1
• InChI: InChI=1S/C28H31N9O2.C23H25N9O2.C23H24N8O.C22H21F3N10O.C20H23ClN10O/c29-19-7-10-36(11-8-19)22-6-3-9-31-27(22)35-28(38)25-26(30)32-17-21(33-25)24-20-5-2-1-4-18(20)16-23(34-24)37-12-14-39-15-13-37;1-23(26)6-10-32(11-7-23)16-4-3-8-28-21(16)31-22(33)19-20(25)29-13-15(30-19)18-14(12-24)17(34-2)5-9-27-18;24-14-7-11-31(12-8-14)19-5-2-9-27-22(19)30-23(32)20-21(25)28-13-18(29-20)15-3-1-4-17-16(15)6-10-26-17;1-21(28)4-7-35(8-5-21)14-3-2-6-29-19(14)34-20(36)17-18(27)31-11-13(32-17)16-12(22(23,24)25)10-30-15(9-26)33-16;1-20(24)4-7-31(8-5-20)13-3-2-6-25-17(13)30-18(32)15-16(22)26-10-12(28-15)14-11(21)9-27-19(23)29-14/h1-6,9,16-17,19H,7-8,10-15,29H2,(H2,30,32)(H,31,35,38);3-5,8-9,13H,6-7,10-11,26H2,1-2H3,(H2,25,29)(H,28,31,33);1-6,9-10,13-14,26H,7-8,11-12,24H2,(H2,25,28)(H,27,30,32);2-3,6,10-11H,4-5,7-8,28H2,1H3,(H2,27,31)(H,29,34,36);2-3,6,9-10H,4-5,7-8,24H2,1H3,(H2,22,26)(H2,23,27,29)(H,25,30,32)
• InChIKey: MPLBXWCQXKSOSK-UHFFFAOYSA-N
• XLogP: 11.52
• TPSA: 803.68 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 47
• Rotatable Bonds: 22
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2367.03
LogP ≤ 5	11.52
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide?

The IUPAC name of 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide (CID 159633493) is 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide?

The canonical SMILES for 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide is CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(C#N)ncc3C(F)(F)F)cnc2N)CC1.CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(N)ncc3Cl)cnc2N)CC1.COc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1C#N.Nc1ncc(-c2cccc3[nH]ccc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.Nc1ncc(-c2nc(N3CCOCC3)cc3ccccc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.

What is the InChIKey of 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide?

The InChIKey is MPLBXWCQXKSOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N9O2.C23H25N9O2.C23H24N8O.C22H21F3N10O.C20H23ClN10O/c29-19-7-10-36(11-8-19)22-6-3-9-31-27(22)35-28(38)25-26(30)32-17-21(33-25)24-20-5-2-1-4-18(20)16-23(34-24)37-12-14-39-15-13-37;1-23(26)6-10-32(11-7-23)16-4-3-8-28-21(16)31-22(33)19-20(25)29-13-15(30-19)18-14(12-24)17(34-2)5-9-27-18;24-14-7-11-31(12-8-14)19-5-2-9-27-22(19)30-23(32)20-21(25)28-13-18(29-20)15-3-1-4-17-16(15)6-10-26-17;1-21(28)4-7-35(8-5-21)14-3-2-6-29-19(14)34-20(36)17-18(27)31-11-13(32-17)16-12(22(23,24)25)10-30-15(9-26)33-16;1-20(24)4-7-31(8-5-20)13-3-2-6-25-17(13)30-18(32)15-16(22)26-10-12(28-15)14-11(21)9-27-19(23)29-14/h1-6,9,16-17,19H,7-8,10-15,29H2,(H2,30,32)(H,31,35,38);3-5,8-9,13H,6-7,10-11,26H2,1-2H3,(H2,25,29)(H,28,31,33);1-6,9-10,13-14,26H,7-8,11-12,24H2,(H2,25,28)(H,27,30,32);2-3,6,10-11H,4-5,7-8,28H2,1H3,(H2,27,31)(H,29,34,36);2-3,6,9-10H,4-5,7-8,24H2,1H3,(H2,22,26)(H2,23,27,29)(H,25,30,32).

What are the key properties of 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide?

3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide has a molecular weight of 2367.03 g/mol, XLogP of 11.52, 22 rotatable bonds, 17 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 159633493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).