8-amino-N-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-N-[3-(dimethylamino)butyl]-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide

C58H55F4N13O2 — CID 154944057

About 8-amino-N-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-N-[3-(dimethylamino)butyl]-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide

8-amino-N-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-N-[3-(dimethylamino)butyl]-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 154944057) has the molecular formula C58H55F4N13O2 and a molecular weight of 1042.16 g/mol. Its IUPAC name is 8-amino-N-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-N-[3-(dimethylamino)butyl]-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 8-amino-N-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-N-[3-(dimethylamino)butyl]-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide
• PubChem CID: 154944057
• Molecular Formula: C58H55F4N13O2
• Molecular Weight: 1042.16 g/mol
• Exact Mass: 1041.45
• IUPAC Name: 8-amino-N-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-N-[3-(dimethylamino)butyl]-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide
• SMILES: Cc1ccnc2ccc(-c3c(-c4ccc(F)cc4)nc(N)c4nc(C(=O)NC5CCC(F)(F)CC5)cn34)cc12.Cc1ccnc2ccc(-c3c(-c4ccc(F)cc4)nc(N)c4nc(C(=O)NCCC(C)N(C)C)cn34)cc12
• InChI: InChI=1S/C29H25F3N6O.C29H30FN7O/c1-16-10-13-34-22-7-4-18(14-21(16)22)25-24(17-2-5-19(30)6-3-17)37-26(33)27-36-23(15-38(25)27)28(39)35-20-8-11-29(31,32)12-9-20;1-17-11-13-32-23-10-7-20(15-22(17)23)26-25(19-5-8-21(30)9-6-19)35-27(31)28-34-24(16-37(26)28)29(38)33-14-12-18(2)36(3)4/h2-7,10,13-15,20H,8-9,11-12H2,1H3,(H2,33,37)(H,35,39);5-11,13,15-16,18H,12,14H2,1-4H3,(H2,31,35)(H,33,38)
• InChIKey: BOBILKSIAHQJQM-UHFFFAOYSA-N
• XLogP: 10.66
• TPSA: 199.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1042.16
LogP ≤ 5	10.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 8-amino-N-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-N-[3-(dimethylamino)butyl]-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide?

The IUPAC name of 8-amino-N-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-N-[3-(dimethylamino)butyl]-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide (CID 154944057) is 8-amino-N-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-N-[3-(dimethylamino)butyl]-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide.

What is the SMILES notation for 8-amino-N-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-N-[3-(dimethylamino)butyl]-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide?

The canonical SMILES for 8-amino-N-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-N-[3-(dimethylamino)butyl]-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide is Cc1ccnc2ccc(-c3c(-c4ccc(F)cc4)nc(N)c4nc(C(=O)NC5CCC(F)(F)CC5)cn34)cc12.Cc1ccnc2ccc(-c3c(-c4ccc(F)cc4)nc(N)c4nc(C(=O)NCCC(C)N(C)C)cn34)cc12.

What is the InChIKey of 8-amino-N-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-N-[3-(dimethylamino)butyl]-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide?

The InChIKey is BOBILKSIAHQJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F3N6O.C29H30FN7O/c1-16-10-13-34-22-7-4-18(14-21(16)22)25-24(17-2-5-19(30)6-3-17)37-26(33)27-36-23(15-38(25)27)28(39)35-20-8-11-29(31,32)12-9-20;1-17-11-13-32-23-10-7-20(15-22(17)23)26-25(19-5-8-21(30)9-6-19)35-27(31)28-34-24(16-37(26)28)29(38)33-14-12-18(2)36(3)4/h2-7,10,13-15,20H,8-9,11-12H2,1H3,(H2,33,37)(H,35,39);5-11,13,15-16,18H,12,14H2,1-4H3,(H2,31,35)(H,33,38).

What are the key properties of 8-amino-N-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-N-[3-(dimethylamino)butyl]-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide?

8-amino-N-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-N-[3-(dimethylamino)butyl]-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 1042.16 g/mol, XLogP of 10.66, 11 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 8-amino-N-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-N-[3-(dimethylamino)butyl]-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 154944057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).