3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine

C70H71BClF3N18O7 — CID 159031976

About 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine

3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine (PubChem CID 159031976) has the molecular formula C70H71BClF3N18O7 and a molecular weight of 1379.72 g/mol. Its IUPAC name is 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine.

Molecular Properties

• Compound Name: 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine
• PubChem CID: 159031976
• Molecular Formula: C70H71BClF3N18O7
• Molecular Weight: 1379.72 g/mol
• Exact Mass: 1378.55
• IUPAC Name: 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine
• SMILES: CN1CCC[C@@H]1CN.Cc1cnc2ccc(-c3nc(C(=O)CC[C@H]4CCCN4C)c(N)nc3-c3ccc(F)cc3)cn12.Cc1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-c3ccc(F)cc3)cn12.Cc1cnc2ccc(B(O)O)cn12.Nc1nc(-c2ccc(F)cc2)c(Cl)nc1C(=O)O
• InChI: InChI=1S/C26H27FN6O.C19H14FN5O2.C11H7ClFN3O2.C8H9BN2O2.C6H14N2/c1-16-14-29-22-12-7-18(15-33(16)22)24-23(17-5-8-19(27)9-6-17)31-26(28)25(30-24)21(34)11-10-20-4-3-13-32(20)2;1-10-8-22-14-7-4-12(9-25(10)14)16-15(11-2-5-13(20)6-3-11)24-18(21)17(23-16)19(26)27;12-9-7(5-1-3-6(13)4-2-5)16-10(14)8(15-9)11(17)18;1-6-4-10-8-3-2-7(9(12)13)5-11(6)8;1-8-4-2-3-6(8)5-7/h5-9,12,14-15,20H,3-4,10-11,13H2,1-2H3,(H2,28,31);2-9H,1H3,(H2,21,24)(H,26,27);1-4H,(H2,14,16)(H,17,18);2-5,12-13H,1H3;6H,2-5,7H2,1H3/t20-;;;;6-/m1...1/s1
• InChIKey: JUZPCAIDBJXONZ-YBNBHUPFSA-N
• XLogP: 9.31
• TPSA: 371.93 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1379.72
LogP ≤ 5	9.31
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine?

The IUPAC name of 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine (CID 159031976) is 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine.

What is the SMILES notation for 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine?

The canonical SMILES for 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine is CN1CCC[C@@H]1CN.Cc1cnc2ccc(-c3nc(C(=O)CC[C@H]4CCCN4C)c(N)nc3-c3ccc(F)cc3)cn12.Cc1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-c3ccc(F)cc3)cn12.Cc1cnc2ccc(B(O)O)cn12.Nc1nc(-c2ccc(F)cc2)c(Cl)nc1C(=O)O.

What is the InChIKey of 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine?

The InChIKey is JUZPCAIDBJXONZ-YBNBHUPFSA-N. The full InChI is InChI=1S/C26H27FN6O.C19H14FN5O2.C11H7ClFN3O2.C8H9BN2O2.C6H14N2/c1-16-14-29-22-12-7-18(15-33(16)22)24-23(17-5-8-19(27)9-6-17)31-26(28)25(30-24)21(34)11-10-20-4-3-13-32(20)2;1-10-8-22-14-7-4-12(9-25(10)14)16-15(11-2-5-13(20)6-3-11)24-18(21)17(23-16)19(26)27;12-9-7(5-1-3-6(13)4-2-5)16-10(14)8(15-9)11(17)18;1-6-4-10-8-3-2-7(9(12)13)5-11(6)8;1-8-4-2-3-6(8)5-7/h5-9,12,14-15,20H,3-4,10-11,13H2,1-2H3,(H2,28,31);2-9H,1H3,(H2,21,24)(H,26,27);1-4H,(H2,14,16)(H,17,18);2-5,12-13H,1H3;6H,2-5,7H2,1H3/t20-;;;;6-/m1...1/s1.

What are the key properties of 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine?

3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine has a molecular weight of 1379.72 g/mol, XLogP of 9.31, 13 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 159031976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).