4-[6-[4-(4-aminopiperidine-1-carbonyl)-3-methylphenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-(6-bromoimidazo[1,2-a]pyrazin-3-yl)benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylbenzoyl]piperidin-4-yl]carbamate;[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl] formate;methane

C92H81BrN20O6 — CID 158867316

About 4-[6-[4-(4-aminopiperidine-1-carbonyl)-3-methylphenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-(6-bromoimidazo[1,2-a]pyrazin-3-yl)benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylbenzoyl]piperidin-4-yl]carbamate;[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl] formate;methane

4-[6-[4-(4-aminopiperidine-1-carbonyl)-3-methylphenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-(6-bromoimidazo[1,2-a]pyrazin-3-yl)benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylbenzoyl]piperidin-4-yl]carbamate;[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl] formate;methane (PubChem CID 158867316) has the molecular formula C92H81BrN20O6 and a molecular weight of 1642.70 g/mol. Its IUPAC name is 4-[6-[4-(4-aminopiperidine-1-carbonyl)-3-methylphenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-(6-bromoimidazo[1,2-a]pyrazin-3-yl)benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylbenzoyl]piperidin-4-yl]carbamate;[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl] formate;methane.

Molecular Properties

• Compound Name: 4-[6-[4-(4-aminopiperidine-1-carbonyl)-3-methylphenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-(6-bromoimidazo[1,2-a]pyrazin-3-yl)benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylbenzoyl]piperidin-4-yl]carbamate;[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl] formate;methane
• PubChem CID: 158867316
• Molecular Formula: C92H81BrN20O6
• Molecular Weight: 1642.70 g/mol
• Exact Mass: 1640.58
• IUPAC Name: 4-[6-[4-(4-aminopiperidine-1-carbonyl)-3-methylphenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-(6-bromoimidazo[1,2-a]pyrazin-3-yl)benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylbenzoyl]piperidin-4-yl]carbamate;[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl] formate;methane
• SMILES: C.Cc1cc(-c2cn3c(-c4ccc(C#N)cc4)cnc3cn2)ccc1C(=O)N1CCC(N)CC1.Cc1cc(-c2cn3c(-c4ccc(C#N)cc4)cnc3cn2)ccc1C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1.Cc1cc(-c2cn3c(-c4ccc(C#N)cc4)cnc3cn2)ccc1OC=O.N#Cc1ccc(-c2cnc3cnc(Br)cn23)cc1
• InChI: InChI=1S/C31H32N6O3.C26H24N6O.C21H14N4O2.C13H7BrN4.CH4/c1-20-15-23(26-19-37-27(17-34-28(37)18-33-26)22-7-5-21(16-32)6-8-22)9-10-25(20)29(38)36-13-11-24(12-14-36)35-30(39)40-31(2,3)4;1-17-12-20(6-7-22(17)26(33)31-10-8-21(28)9-11-31)23-16-32-24(14-30-25(32)15-29-23)19-4-2-18(13-27)3-5-19;1-14-8-17(6-7-20(14)27-13-26)18-12-25-19(10-24-21(25)11-23-18)16-4-2-15(9-22)3-5-16;14-12-8-18-11(6-17-13(18)7-16-12)10-3-1-9(5-15)2-4-10;/h5-10,15,17-19,24H,11-14H2,1-4H3,(H,35,39);2-7,12,14-16,21H,8-11,28H2,1H3;2-8,10-13H,1H3;1-4,6-8H;1H4
• InChIKey: JBKCARUFVOPVOP-UHFFFAOYSA-N
• XLogP: 16.62
• TPSA: 347.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1642.70
LogP ≤ 5	16.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(4-aminopiperidine-1-carbonyl)-3-methylphenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-(6-bromoimidazo[1,2-a]pyrazin-3-yl)benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylbenzoyl]piperidin-4-yl]carbamate;[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl] formate;methane?

The IUPAC name of 4-[6-[4-(4-aminopiperidine-1-carbonyl)-3-methylphenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-(6-bromoimidazo[1,2-a]pyrazin-3-yl)benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylbenzoyl]piperidin-4-yl]carbamate;[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl] formate;methane (CID 158867316) is 4-[6-[4-(4-aminopiperidine-1-carbonyl)-3-methylphenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-(6-bromoimidazo[1,2-a]pyrazin-3-yl)benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylbenzoyl]piperidin-4-yl]carbamate;[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl] formate;methane.

What is the SMILES notation for 4-[6-[4-(4-aminopiperidine-1-carbonyl)-3-methylphenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-(6-bromoimidazo[1,2-a]pyrazin-3-yl)benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylbenzoyl]piperidin-4-yl]carbamate;[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl] formate;methane?

The canonical SMILES for 4-[6-[4-(4-aminopiperidine-1-carbonyl)-3-methylphenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-(6-bromoimidazo[1,2-a]pyrazin-3-yl)benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylbenzoyl]piperidin-4-yl]carbamate;[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl] formate;methane is C.Cc1cc(-c2cn3c(-c4ccc(C#N)cc4)cnc3cn2)ccc1C(=O)N1CCC(N)CC1.Cc1cc(-c2cn3c(-c4ccc(C#N)cc4)cnc3cn2)ccc1C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1.Cc1cc(-c2cn3c(-c4ccc(C#N)cc4)cnc3cn2)ccc1OC=O.N#Cc1ccc(-c2cnc3cnc(Br)cn23)cc1.

What is the InChIKey of 4-[6-[4-(4-aminopiperidine-1-carbonyl)-3-methylphenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-(6-bromoimidazo[1,2-a]pyrazin-3-yl)benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylbenzoyl]piperidin-4-yl]carbamate;[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl] formate;methane?

The InChIKey is JBKCARUFVOPVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N6O3.C26H24N6O.C21H14N4O2.C13H7BrN4.CH4/c1-20-15-23(26-19-37-27(17-34-28(37)18-33-26)22-7-5-21(16-32)6-8-22)9-10-25(20)29(38)36-13-11-24(12-14-36)35-30(39)40-31(2,3)4;1-17-12-20(6-7-22(17)26(33)31-10-8-21(28)9-11-31)23-16-32-24(14-30-25(32)15-29-23)19-4-2-18(13-27)3-5-19;1-14-8-17(6-7-20(14)27-13-26)18-12-25-19(10-24-21(25)11-23-18)16-4-2-15(9-22)3-5-16;14-12-8-18-11(6-17-13(18)7-16-12)10-3-1-9(5-15)2-4-10;/h5-10,15,17-19,24H,11-14H2,1-4H3,(H,35,39);2-7,12,14-16,21H,8-11,28H2,1H3;2-8,10-13H,1H3;1-4,6-8H;1H4.

What are the key properties of 4-[6-[4-(4-aminopiperidine-1-carbonyl)-3-methylphenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-(6-bromoimidazo[1,2-a]pyrazin-3-yl)benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylbenzoyl]piperidin-4-yl]carbamate;[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl] formate;methane?

4-[6-[4-(4-aminopiperidine-1-carbonyl)-3-methylphenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-(6-bromoimidazo[1,2-a]pyrazin-3-yl)benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylbenzoyl]piperidin-4-yl]carbamate;[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl] formate;methane has a molecular weight of 1642.70 g/mol, XLogP of 16.62, 12 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-(4-aminopiperidine-1-carbonyl)-3-methylphenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-(6-bromoimidazo[1,2-a]pyrazin-3-yl)benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylbenzoyl]piperidin-4-yl]carbamate;[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl] formate;methane is sourced from PubChem (CID 158867316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).