3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide;3-amino-N-[3-[(3S,4R)-4-amino-3-methylpiperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-(azetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-(dimethylamino)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide

C118H123ClF12N42O6 — CID 160833367

About 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide;3-amino-N-[3-[(3S,4R)-4-amino-3-methylpiperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-(azetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-(dimethylamino)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide

3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide;3-amino-N-[3-[(3S,4R)-4-amino-3-methylpiperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-(azetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-(dimethylamino)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide (PubChem CID 160833367) has the molecular formula C118H123ClF12N42O6 and a molecular weight of 2489.00 g/mol. Its IUPAC name is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide;3-amino-N-[3-[(3S,4R)-4-amino-3-methylpiperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-(azetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-(dimethylamino)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide;3-amino-N-[3-[(3S,4R)-4-amino-3-methylpiperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-(azetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-(dimethylamino)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide
• PubChem CID: 160833367
• Molecular Formula: C118H123ClF12N42O6
• Molecular Weight: 2489.00 g/mol
• Exact Mass: 2487.01
• IUPAC Name: 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide;3-amino-N-[3-[(3S,4R)-4-amino-3-methylpiperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-(azetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-(dimethylamino)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide
• SMILES: CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nccc4ccc(Cl)cc34)cnc2N)CC1.CN(C)c1ccc(C(F)(F)F)c(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(N)CC3)n2)n1.C[C@H]1CN(c2cccnc2NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2N)CC[C@H]1N.Nc1ncc(-c2cccc3[nH]c(C(F)(F)F)cc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.Nc1ncc(-c2nc(N3CCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1
• InChI: InChI=1S/C25H25ClN8O.C24H26F3N9O.C24H23F3N8O.C23H26F3N9O.C22H23F3N8O2/c1-25(28)7-11-34(12-8-25)19-3-2-9-30-23(19)33-24(35)21-22(27)31-14-18(32-21)20-17-13-16(26)5-4-15(17)6-10-29-20;25-24(26,27)15-4-5-18(36-9-2-10-36)33-19(15)16-13-31-21(29)20(32-16)23(37)34-22-17(3-1-8-30-22)35-11-6-14(28)7-12-35;25-24(26,27)19-11-15-14(3-1-4-16(15)32-19)17-12-31-21(29)20(33-17)23(36)34-22-18(5-2-8-30-22)35-9-6-13(28)7-10-35;1-34(2)17-6-5-14(23(24,25)26)18(32-17)15-12-30-20(28)19(31-15)22(36)33-21-16(4-3-9-29-21)35-10-7-13(27)8-11-35;1-12-11-33(9-6-13(12)26)15-4-2-8-29-20(15)32-21(34)18-19(27)30-10-14(31-18)17-16(5-3-7-28-17)35-22(23,24)25/h2-6,9-10,13-14H,7-8,11-12,28H2,1H3,(H2,27,31)(H,30,33,35);1,3-5,8,13-14H,2,6-7,9-12,28H2,(H2,29,31)(H,30,34,37);1-5,8,11-13,32H,6-7,9-10,28H2,(H2,29,31)(H,30,34,36);3-6,9,12-13H,7-8,10-11,27H2,1-2H3,(H2,28,30)(H,29,33,36);2-5,7-8,10,12-13H,6,9,11,26H2,1H3,(H2,27,30)(H,29,32,34)/t;;;;12-,13+/m....0/s1
• InChIKey: SHCCWLABULAFIF-CDNBUKKPSA-N
• XLogP: 16.24
• TPSA: 698.31 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 42
• Rotatable Bonds: 23
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2489.00
LogP ≤ 5	16.24
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide;3-amino-N-[3-[(3S,4R)-4-amino-3-methylpiperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-(azetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-(dimethylamino)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide?

The IUPAC name of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide;3-amino-N-[3-[(3S,4R)-4-amino-3-methylpiperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-(azetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-(dimethylamino)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide (CID 160833367) is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide;3-amino-N-[3-[(3S,4R)-4-amino-3-methylpiperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-(azetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-(dimethylamino)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide;3-amino-N-[3-[(3S,4R)-4-amino-3-methylpiperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-(azetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-(dimethylamino)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide?

The canonical SMILES for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide;3-amino-N-[3-[(3S,4R)-4-amino-3-methylpiperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-(azetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-(dimethylamino)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide is CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nccc4ccc(Cl)cc34)cnc2N)CC1.CN(C)c1ccc(C(F)(F)F)c(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(N)CC3)n2)n1.C[C@H]1CN(c2cccnc2NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2N)CC[C@H]1N.Nc1ncc(-c2cccc3[nH]c(C(F)(F)F)cc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.Nc1ncc(-c2nc(N3CCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.

What is the InChIKey of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide;3-amino-N-[3-[(3S,4R)-4-amino-3-methylpiperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-(azetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-(dimethylamino)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide?

The InChIKey is SHCCWLABULAFIF-CDNBUKKPSA-N. The full InChI is InChI=1S/C25H25ClN8O.C24H26F3N9O.C24H23F3N8O.C23H26F3N9O.C22H23F3N8O2/c1-25(28)7-11-34(12-8-25)19-3-2-9-30-23(19)33-24(35)21-22(27)31-14-18(32-21)20-17-13-16(26)5-4-15(17)6-10-29-20;25-24(26,27)15-4-5-18(36-9-2-10-36)33-19(15)16-13-31-21(29)20(32-16)23(37)34-22-17(3-1-8-30-22)35-11-6-14(28)7-12-35;25-24(26,27)19-11-15-14(3-1-4-16(15)32-19)17-12-31-21(29)20(33-17)23(36)34-22-18(5-2-8-30-22)35-9-6-13(28)7-10-35;1-34(2)17-6-5-14(23(24,25)26)18(32-17)15-12-30-20(28)19(31-15)22(36)33-21-16(4-3-9-29-21)35-10-7-13(27)8-11-35;1-12-11-33(9-6-13(12)26)15-4-2-8-29-20(15)32-21(34)18-19(27)30-10-14(31-18)17-16(5-3-7-28-17)35-22(23,24)25/h2-6,9-10,13-14H,7-8,11-12,28H2,1H3,(H2,27,31)(H,30,33,35);1,3-5,8,13-14H,2,6-7,9-12,28H2,(H2,29,31)(H,30,34,37);1-5,8,11-13,32H,6-7,9-10,28H2,(H2,29,31)(H,30,34,36);3-6,9,12-13H,7-8,10-11,27H2,1-2H3,(H2,28,30)(H,29,33,36);2-5,7-8,10,12-13H,6,9,11,26H2,1H3,(H2,27,30)(H,29,32,34)/t;;;;12-,13+/m....0/s1.

What are the key properties of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide;3-amino-N-[3-[(3S,4R)-4-amino-3-methylpiperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-(azetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-(dimethylamino)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide?

3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide;3-amino-N-[3-[(3S,4R)-4-amino-3-methylpiperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-(azetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-(dimethylamino)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide has a molecular weight of 2489.00 g/mol, XLogP of 16.24, 23 rotatable bonds, 16 hydrogen bond donors, and 42 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-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide;3-amino-N-[3-[(3S,4R)-4-amino-3-methylpiperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-(azetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-(dimethylamino)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 160833367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).