bis(3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide);3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[5-morpholin-4-yl-2-(trifluoromethyl)phenyl]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-6-(3-cyano-4-methoxy-2-pyridinyl)-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine

C130H146F6N44O10 — CID 158197499

About bis(3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide);3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[5-morpholin-4-yl-2-(trifluoromethyl)phenyl]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-6-(3-cyano-4-methoxy-2-pyridinyl)-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine

bis(3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide);3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[5-morpholin-4-yl-2-(trifluoromethyl)phenyl]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-6-(3-cyano-4-methoxy-2-pyridinyl)-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine (PubChem CID 158197499) has the molecular formula C130H146F6N44O10 and a molecular weight of 2598.88 g/mol. Its IUPAC name is bis(3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide);3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[5-morpholin-4-yl-2-(trifluoromethyl)phenyl]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-6-(3-cyano-4-methoxy-2-pyridinyl)-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine.

Molecular Properties

• Compound Name: bis(3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide);3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[5-morpholin-4-yl-2-(trifluoromethyl)phenyl]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-6-(3-cyano-4-methoxy-2-pyridinyl)-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine
• PubChem CID: 158197499
• Molecular Formula: C130H146F6N44O10
• Molecular Weight: 2598.88 g/mol
• Exact Mass: 2597.22
• IUPAC Name: bis(3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide);3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[5-morpholin-4-yl-2-(trifluoromethyl)phenyl]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-6-(3-cyano-4-methoxy-2-pyridinyl)-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine
• SMILES: CN.COc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCCCC3)n2)c1C#N.Nc1ncc(-c2cc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.Nc1ncc(-c2nc(N3CCOCC3)cc3ccccc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.Nc1ncc(-c2nc(N3CCOCC3)cc3ccccc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.Nc1ncc(-c2nc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1
• InChI: InChI=1S/2C28H31N9O2.C26H29F3N8O2.C25H28F3N9O2.C22H22N8O2.CH5N/c2*29-19-7-10-36(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;27-26(28,29)19-4-3-17(36-10-12-39-13-11-36)14-18(19)20-15-33-23(31)22(34-20)25(38)35-24-21(2-1-7-32-24)37-8-5-16(30)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;1-32-17-7-9-25-18(14(17)12-23)15-13-27-20(24)19(28-15)22(31)29-21-16(6-5-8-26-21)30-10-3-2-4-11-30;1-2/h2*1-6,9,16-17,19H,7-8,10-15,29H2,(H2,30,32)(H,31,35,38);1-4,7,14-16H,5-6,8-13,30H2,(H2,31,33)(H,32,35,38);1-4,7,14-15H,5-6,8-13,29H2,(H2,30,32)(H,31,35,38);5-9,13H,2-4,10-11H2,1H3,(H2,24,27)(H,26,29,31);2H2,1H3
• InChIKey: GANATUKJIKJECD-UHFFFAOYSA-N
• XLogP: 13.29
• TPSA: 749.71 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 49
• Rotatable Bonds: 25
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2598.88
LogP ≤ 5	13.29
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of bis(3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide);3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[5-morpholin-4-yl-2-(trifluoromethyl)phenyl]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-6-(3-cyano-4-methoxy-2-pyridinyl)-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine?

The IUPAC name of bis(3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide);3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[5-morpholin-4-yl-2-(trifluoromethyl)phenyl]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-6-(3-cyano-4-methoxy-2-pyridinyl)-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine (CID 158197499) is bis(3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide);3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[5-morpholin-4-yl-2-(trifluoromethyl)phenyl]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-6-(3-cyano-4-methoxy-2-pyridinyl)-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine.

What is the SMILES notation for bis(3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide);3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[5-morpholin-4-yl-2-(trifluoromethyl)phenyl]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-6-(3-cyano-4-methoxy-2-pyridinyl)-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine?

The canonical SMILES for bis(3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide);3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[5-morpholin-4-yl-2-(trifluoromethyl)phenyl]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-6-(3-cyano-4-methoxy-2-pyridinyl)-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine is CN.COc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCCCC3)n2)c1C#N.Nc1ncc(-c2cc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.Nc1ncc(-c2nc(N3CCOCC3)cc3ccccc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.Nc1ncc(-c2nc(N3CCOCC3)cc3ccccc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.Nc1ncc(-c2nc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.

What is the InChIKey of bis(3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide);3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[5-morpholin-4-yl-2-(trifluoromethyl)phenyl]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-6-(3-cyano-4-methoxy-2-pyridinyl)-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine?

The InChIKey is GANATUKJIKJECD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H31N9O2.C26H29F3N8O2.C25H28F3N9O2.C22H22N8O2.CH5N/c2*29-19-7-10-36(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;27-26(28,29)19-4-3-17(36-10-12-39-13-11-36)14-18(19)20-15-33-23(31)22(34-20)25(38)35-24-21(2-1-7-32-24)37-8-5-16(30)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;1-32-17-7-9-25-18(14(17)12-23)15-13-27-20(24)19(28-15)22(31)29-21-16(6-5-8-26-21)30-10-3-2-4-11-30;1-2/h2*1-6,9,16-17,19H,7-8,10-15,29H2,(H2,30,32)(H,31,35,38);1-4,7,14-16H,5-6,8-13,30H2,(H2,31,33)(H,32,35,38);1-4,7,14-15H,5-6,8-13,29H2,(H2,30,32)(H,31,35,38);5-9,13H,2-4,10-11H2,1H3,(H2,24,27)(H,26,29,31);2H2,1H3.

What are the key properties of bis(3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide);3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[5-morpholin-4-yl-2-(trifluoromethyl)phenyl]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-6-(3-cyano-4-methoxy-2-pyridinyl)-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine?

bis(3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide);3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[5-morpholin-4-yl-2-(trifluoromethyl)phenyl]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-6-(3-cyano-4-methoxy-2-pyridinyl)-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine has a molecular weight of 2598.88 g/mol, XLogP of 13.29, 25 rotatable bonds, 15 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide);3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[5-morpholin-4-yl-2-(trifluoromethyl)phenyl]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-6-(3-cyano-4-methoxy-2-pyridinyl)-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine is sourced from PubChem (CID 158197499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).