3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]propan-1-one;6-fluoropyridine-2-carbonitrile;(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octane;6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile;[6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]methanamine

C85H96FN27O5 — CID 157084108

About 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]propan-1-one;6-fluoropyridine-2-carbonitrile;(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octane;6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile;[6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]methanamine

3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]propan-1-one;6-fluoropyridine-2-carbonitrile;(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octane;6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile;[6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]methanamine (PubChem CID 157084108) has the molecular formula C85H96FN27O5 and a molecular weight of 1594.88 g/mol. Its IUPAC name is 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]propan-1-one;6-fluoropyridine-2-carbonitrile;(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octane;6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile;[6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]methanamine.

Molecular Properties

• Compound Name: 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]propan-1-one;6-fluoropyridine-2-carbonitrile;(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octane;6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile;[6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]methanamine
• PubChem CID: 157084108
• Molecular Formula: C85H96FN27O5
• Molecular Weight: 1594.88 g/mol
• Exact Mass: 1593.81
• IUPAC Name: 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]propan-1-one;6-fluoropyridine-2-carbonitrile;(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octane;6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile;[6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]methanamine
• SMILES: CN1C[C@H]2CC[C@@H](C1)N2.CN1C[C@H]2CC[C@@H](C1)N2c1cccc(C#N)n1.CN1C[C@H]2CC[C@@H](C1)N2c1cccc(CN)n1.Cc1cnc2ccc(-c3nc(C(=O)CCc4cccc(N5[C@@H]6CC[C@H]5CN(C)C6)n4)c(N)nc3-c3ncco3)cn12.Cc1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-c3ncco3)cn12.N#Cc1cccc(F)n1
• InChI: InChI=1S/C30H31N9O2.C16H12N6O3.C13H20N4.C13H16N4.C7H14N2.C6H3FN2/c1-18-14-33-24-11-6-19(15-38(18)24)26-28(30-32-12-13-41-30)36-29(31)27(35-26)23(40)10-7-20-4-3-5-25(34-20)39-21-8-9-22(39)17-37(2)16-21;1-8-6-19-10-3-2-9(7-22(8)10)11-12(15-18-4-5-25-15)21-14(17)13(20-11)16(23)24;2*1-16-8-11-5-6-12(9-16)17(11)13-4-2-3-10(7-14)15-13;1-9-4-6-2-3-7(5-9)8-6;7-6-3-1-2-5(4-8)9-6/h3-6,11-15,21-22H,7-10,16-17H2,1-2H3,(H2,31,36);2-7H,1H3,(H2,17,21)(H,23,24);2-4,11-12H,5-9,14H2,1H3;2-4,11-12H,5-6,8-9H2,1H3;6-8H,2-5H2,1H3;1-3H/t21-,22+;;2*11-,12+;6-,7+
• InChIKey: ADWUSMYEQZDNEO-YVELOOADSA-N
• XLogP: 9.07
• TPSA: 404.50 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 13
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1594.88
LogP ≤ 5	9.07
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]propan-1-one;6-fluoropyridine-2-carbonitrile;(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octane;6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile;[6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]methanamine?

The IUPAC name of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]propan-1-one;6-fluoropyridine-2-carbonitrile;(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octane;6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile;[6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]methanamine (CID 157084108) is 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]propan-1-one;6-fluoropyridine-2-carbonitrile;(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octane;6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile;[6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]methanamine.

What is the SMILES notation for 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]propan-1-one;6-fluoropyridine-2-carbonitrile;(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octane;6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile;[6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]methanamine?

The canonical SMILES for 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]propan-1-one;6-fluoropyridine-2-carbonitrile;(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octane;6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile;[6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]methanamine is CN1C[C@H]2CC[C@@H](C1)N2.CN1C[C@H]2CC[C@@H](C1)N2c1cccc(C#N)n1.CN1C[C@H]2CC[C@@H](C1)N2c1cccc(CN)n1.Cc1cnc2ccc(-c3nc(C(=O)CCc4cccc(N5[C@@H]6CC[C@H]5CN(C)C6)n4)c(N)nc3-c3ncco3)cn12.Cc1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-c3ncco3)cn12.N#Cc1cccc(F)n1.

What is the InChIKey of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]propan-1-one;6-fluoropyridine-2-carbonitrile;(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octane;6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile;[6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]methanamine?

The InChIKey is ADWUSMYEQZDNEO-YVELOOADSA-N. The full InChI is InChI=1S/C30H31N9O2.C16H12N6O3.C13H20N4.C13H16N4.C7H14N2.C6H3FN2/c1-18-14-33-24-11-6-19(15-38(18)24)26-28(30-32-12-13-41-30)36-29(31)27(35-26)23(40)10-7-20-4-3-5-25(34-20)39-21-8-9-22(39)17-37(2)16-21;1-8-6-19-10-3-2-9(7-22(8)10)11-12(15-18-4-5-25-15)21-14(17)13(20-11)16(23)24;2*1-16-8-11-5-6-12(9-16)17(11)13-4-2-3-10(7-14)15-13;1-9-4-6-2-3-7(5-9)8-6;7-6-3-1-2-5(4-8)9-6/h3-6,11-15,21-22H,7-10,16-17H2,1-2H3,(H2,31,36);2-7H,1H3,(H2,17,21)(H,23,24);2-4,11-12H,5-9,14H2,1H3;2-4,11-12H,5-6,8-9H2,1H3;6-8H,2-5H2,1H3;1-3H/t21-,22+;;2*11-,12+;6-,7+;.

What are the key properties of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]propan-1-one;6-fluoropyridine-2-carbonitrile;(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octane;6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile;[6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]methanamine?

3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]propan-1-one;6-fluoropyridine-2-carbonitrile;(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octane;6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile;[6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]methanamine has a molecular weight of 1594.88 g/mol, XLogP of 9.07, 13 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]propan-1-one;6-fluoropyridine-2-carbonitrile;(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octane;6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile;[6-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]methanamine is sourced from PubChem (CID 157084108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).