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

IUPAC3-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
SMILESC.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
InChIInChI=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
InChIKeyLTGXSZLNHGVARE-TWIKQCADSA-N
MW1690.38 g/mol
LogP11.28
Rot. Bonds19

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 Name3-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 CID159450242
Molecular FormulaC84H112ClF3N18O14
Molecular Weight1690.38 g/mol
Exact Mass1688.82
IUPAC Name3-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
SMILESC.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
InChIInChI=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
InChIKeyLTGXSZLNHGVARE-TWIKQCADSA-N
XLogP11.28
TPSA431.38 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds19
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001690.38
LogP ≤ 511.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

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'}

Analyze 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 with MolForge

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Related Compounds

3-amino-N-[[1-(dimethylcarbamoyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 155209302
3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-(oxan-4-ylmethyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 146380252
3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide
CID 155209222
tert-butyl 2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-2-methylpyrrolidine-1-carboxylate
CID 155209326
3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide
CID 146380293
3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-[(3S)-oxolan-3-yl]pyrazine-2-carboxamide
CID 155209338
3-amino-N-[[6-[3-(dimethylamino)azetidin-1-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 146386518
3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2-carboxamide
CID 146380306
5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one
CID 157417948
3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[(3R)-oxolan-3-yl]methyl]-5-pyridin-2-ylpyrazine-2-carboxamide
CID 155209421
3-amino-6-[3-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 146386591
3-amino-4-iodo-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyridine-2-carboxamide
CID 146386509

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).