N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetic acid;bis(1-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]amino]propan-2-one)

C85H84N16O8 — CID 158380551

About N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetic acid;bis(1-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]amino]propan-2-one)

N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetic acid;bis(1-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]amino]propan-2-one) (PubChem CID 158380551) has the molecular formula C85H84N16O8 and a molecular weight of 1457.71 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetic acid;bis(1-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]amino]propan-2-one).

Molecular Properties

• Compound Name: N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetic acid;bis(1-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]amino]propan-2-one)
• PubChem CID: 158380551
• Molecular Formula: C85H84N16O8
• Molecular Weight: 1457.71 g/mol
• Exact Mass: 1456.67
• IUPAC Name: N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetic acid;bis(1-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]amino]propan-2-one)
• SMILES: CC(=O)CNc1c(-c2ccc(-c3c(C)noc3C)cc2)nc2ccccn12.CC(=O)CNc1c(-c2ccc(-c3c(C)noc3C)cc2)nc2ccccn12.Cc1ccc2nc(-c3ccc(-c4c(C)noc4C)cc3)c(NC(C)(C)C)n2c1.Cc1noc(C)c1-c1ccc(-c2nc3ccccn3c2NCC(=O)O)cc1
• InChI: InChI=1S/C23H26N4O.2C21H20N4O2.C20H18N4O3/c1-14-7-12-19-24-21(22(27(19)13-14)25-23(4,5)6)18-10-8-17(9-11-18)20-15(2)26-28-16(20)3;2*1-13(26)12-22-21-20(23-18-6-4-5-11-25(18)21)17-9-7-16(8-10-17)19-14(2)24-27-15(19)3;1-12-18(13(2)27-23-12)14-6-8-15(9-7-14)19-20(21-11-17(25)26)24-10-4-3-5-16(24)22-19/h7-13,25H,1-6H3;2*4-11,22H,12H2,1-3H3;3-10,21H,11H2,1-2H3,(H,25,26)
• InChIKey: GVSUDMVRPWXTAM-UHFFFAOYSA-N
• XLogP: 18.11
• TPSA: 292.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1457.71
LogP ≤ 5	18.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetic acid;bis(1-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]amino]propan-2-one)?

The IUPAC name of N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetic acid;bis(1-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]amino]propan-2-one) (CID 158380551) is N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetic acid;bis(1-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]amino]propan-2-one).

What is the SMILES notation for N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetic acid;bis(1-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]amino]propan-2-one)?

The canonical SMILES for N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetic acid;bis(1-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]amino]propan-2-one) is CC(=O)CNc1c(-c2ccc(-c3c(C)noc3C)cc2)nc2ccccn12.CC(=O)CNc1c(-c2ccc(-c3c(C)noc3C)cc2)nc2ccccn12.Cc1ccc2nc(-c3ccc(-c4c(C)noc4C)cc3)c(NC(C)(C)C)n2c1.Cc1noc(C)c1-c1ccc(-c2nc3ccccn3c2NCC(=O)O)cc1.

What is the InChIKey of N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetic acid;bis(1-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]amino]propan-2-one)?

The InChIKey is GVSUDMVRPWXTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O.2C21H20N4O2.C20H18N4O3/c1-14-7-12-19-24-21(22(27(19)13-14)25-23(4,5)6)18-10-8-17(9-11-18)20-15(2)26-28-16(20)3;2*1-13(26)12-22-21-20(23-18-6-4-5-11-25(18)21)17-9-7-16(8-10-17)19-14(2)24-27-15(19)3;1-12-18(13(2)27-23-12)14-6-8-15(9-7-14)19-20(21-11-17(25)26)24-10-4-3-5-16(24)22-19/h7-13,25H,1-6H3;2*4-11,22H,12H2,1-3H3;3-10,21H,11H2,1-2H3,(H,25,26).

What are the key properties of N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetic acid;bis(1-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]amino]propan-2-one)?

N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetic acid;bis(1-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]amino]propan-2-one) has a molecular weight of 1457.71 g/mol, XLogP of 18.11, 18 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetic acid;bis(1-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]amino]propan-2-one) is sourced from PubChem (CID 158380551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).