3-amino-N-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-cyclopropylmethanone;tert-butyl 3-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanoate;tert-butyl 3-[(3S)-pyrrolidin-3-yl]propanoate;cyclopropanecarbonyl chloride;methane;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylate;2,2,2-trifluoroacetaldehyde

C₈₄H₁₁₂ClF₃N₁₈O₁₄ — CID 159450242

About 3-amino-N-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-cyclopropylmethanone;tert-butyl 3-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanoate;tert-butyl 3-[(3S)-pyrrolidin-3-yl]propanoate;cyclopropanecarbonyl chloride;methane;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylate;2,2,2-trifluoroacetaldehyde

3-amino-N-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-cyclopropylmethanone;tert-butyl 3-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanoate;tert-butyl 3-[(3S)-pyrrolidin-3-yl]propanoate;cyclopropanecarbonyl chloride;methane;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylate;2,2,2-trifluoroacetaldehyde (PubChem CID 159450242) has the molecular formula C₈₄H₁₁₂ClF₃N₁₈O₁₄ and a molecular weight of 1690.38 g/mol. Its IUPAC name is 3-amino-N-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-cyclopropylmethanone;tert-butyl 3-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanoate;tert-butyl 3-[(3S)-pyrrolidin-3-yl]propanoate;cyclopropanecarbonyl chloride;methane;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylate;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: 3-amino-N-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-cyclopropylmethanone;tert-butyl 3-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanoate;tert-butyl 3-[(3S)-pyrrolidin-3-yl]propanoate;cyclopropanecarbonyl chloride;methane;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylate;2,2,2-trifluoroacetaldehyde
• PubChem CID: 159450242
• Molecular Formula: C₈₄H₁₁₂ClF₃N₁₈O₁₄
• Molecular Weight: 1690.38 g/mol
• Exact Mass: 1688.82
• IUPAC Name: 3-amino-N-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-cyclopropylmethanone;tert-butyl 3-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanoate;tert-butyl 3-[(3S)-pyrrolidin-3-yl]propanoate;cyclopropanecarbonyl chloride;methane;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylate;2,2,2-trifluoroacetaldehyde
• SMILES: C.CC(C)(C)OC(=O)CC[C@H]1CCN(C(=O)C2CC2)C1.CC(C)(C)OC(=O)CC[C@H]1CCNC1.COC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(-c2ncco2)nc1N.Cc1cnc2ccc(-c3nc(C(=O)NC[C@H]4CCN(C(=O)C5CC5)C4)c(N)nc3-c3ncco3)cn12.NC[C@H]1CCN(C(=O)C2CC2)C1.O=C(Cl)C1CC1.O=CC(F)(F)F
• InChI: InChI=1S/C25H26N8O3.C17H14N6O3.C15H25NO3.C11H21NO2.C9H16N2O.C4H5ClO.C2HF3O.CH4/c1-14-10-28-18-5-4-17(13-33(14)18)19-20(24-27-7-9-36-24)31-22(26)21(30-19)23(34)29-11-15-6-8-32(12-15)25(35)16-2-3-16;1-9-7-20-11-4-3-10(8-23(9)11)12-13(16-19-5-6-26-16)22-15(18)14(21-12)17(24)25-2;1-15(2,3)19-13(17)7-4-11-8-9-16(10-11)14(18)12-5-6-12;1-11(2,3)14-10(13)5-4-9-6-7-12-8-9;10-5-7-3-4-11(6-7)9(12)8-1-2-8;5-4(6)3-1-2-3;3-2(4,5)1-6;/h4-5,7,9-10,13,15-16H,2-3,6,8,11-12H2,1H3,(H2,26,31)(H,29,34);3-8H,1-2H3,(H2,18,22);11-12H,4-10H2,1-3H3;9,12H,4-8H2,1-3H3;7-8H,1-6,10H2;3H,1-2H2;1H;1H4/t15-;;11-;9-;7-;;;/m1.001.../s1
• InChIKey: LTGXSZLNHGVARE-TWIKQCADSA-N
• XLogP: 11.28
• TPSA: 431.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1690.38
LogP ≤ 5	11.28
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-cyclopropylmethanone;tert-butyl 3-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanoate;tert-butyl 3-[(3S)-pyrrolidin-3-yl]propanoate;cyclopropanecarbonyl chloride;methane;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylate;2,2,2-trifluoroacetaldehyde?

The IUPAC name of 3-amino-N-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-cyclopropylmethanone;tert-butyl 3-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanoate;tert-butyl 3-[(3S)-pyrrolidin-3-yl]propanoate;cyclopropanecarbonyl chloride;methane;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylate;2,2,2-trifluoroacetaldehyde (CID 159450242) is 3-amino-N-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-cyclopropylmethanone;tert-butyl 3-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanoate;tert-butyl 3-[(3S)-pyrrolidin-3-yl]propanoate;cyclopropanecarbonyl chloride;methane;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylate;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for 3-amino-N-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-cyclopropylmethanone;tert-butyl 3-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanoate;tert-butyl 3-[(3S)-pyrrolidin-3-yl]propanoate;cyclopropanecarbonyl chloride;methane;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylate;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for 3-amino-N-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-cyclopropylmethanone;tert-butyl 3-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanoate;tert-butyl 3-[(3S)-pyrrolidin-3-yl]propanoate;cyclopropanecarbonyl chloride;methane;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylate;2,2,2-trifluoroacetaldehyde is C.CC(C)(C)OC(=O)CC[C@H]1CCN(C(=O)C2CC2)C1.CC(C)(C)OC(=O)CC[C@H]1CCNC1.COC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(-c2ncco2)nc1N.Cc1cnc2ccc(-c3nc(C(=O)NC[C@H]4CCN(C(=O)C5CC5)C4)c(N)nc3-c3ncco3)cn12.NC[C@H]1CCN(C(=O)C2CC2)C1.O=C(Cl)C1CC1.O=CC(F)(F)F.

What is the InChIKey of 3-amino-N-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-cyclopropylmethanone;tert-butyl 3-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanoate;tert-butyl 3-[(3S)-pyrrolidin-3-yl]propanoate;cyclopropanecarbonyl chloride;methane;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylate;2,2,2-trifluoroacetaldehyde?

The InChIKey is LTGXSZLNHGVARE-TWIKQCADSA-N. The full InChI is InChI=1S/C25H26N8O3.C17H14N6O3.C15H25NO3.C11H21NO2.C9H16N2O.C4H5ClO.C2HF3O.CH4/c1-14-10-28-18-5-4-17(13-33(14)18)19-20(24-27-7-9-36-24)31-22(26)21(30-19)23(34)29-11-15-6-8-32(12-15)25(35)16-2-3-16;1-9-7-20-11-4-3-10(8-23(9)11)12-13(16-19-5-6-26-16)22-15(18)14(21-12)17(24)25-2;1-15(2,3)19-13(17)7-4-11-8-9-16(10-11)14(18)12-5-6-12;1-11(2,3)14-10(13)5-4-9-6-7-12-8-9;10-5-7-3-4-11(6-7)9(12)8-1-2-8;5-4(6)3-1-2-3;3-2(4,5)1-6;/h4-5,7,9-10,13,15-16H,2-3,6,8,11-12H2,1H3,(H2,26,31)(H,29,34);3-8H,1-2H3,(H2,18,22);11-12H,4-10H2,1-3H3;9,12H,4-8H2,1-3H3;7-8H,1-6,10H2;3H,1-2H2;1H;1H4/t15-;;11-;9-;7-;;;/m1.001.../s1.

What are the key properties of 3-amino-N-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-cyclopropylmethanone;tert-butyl 3-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanoate;tert-butyl 3-[(3S)-pyrrolidin-3-yl]propanoate;cyclopropanecarbonyl chloride;methane;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylate;2,2,2-trifluoroacetaldehyde?

3-amino-N-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-cyclopropylmethanone;tert-butyl 3-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanoate;tert-butyl 3-[(3S)-pyrrolidin-3-yl]propanoate;cyclopropanecarbonyl chloride;methane;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylate;2,2,2-trifluoroacetaldehyde has a molecular weight of 1690.38 g/mol, XLogP of 11.28, 19 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-cyclopropylmethanone;tert-butyl 3-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanoate;tert-butyl 3-[(3S)-pyrrolidin-3-yl]propanoate;cyclopropanecarbonyl chloride;methane;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylate;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 159450242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159450242 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.