2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]acetate;[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]boronic acid;methane

C67H73BBrF2N15O4S2 — CID 165087831

About 2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]acetate;[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]boronic acid;methane

2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]acetate;[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]boronic acid;methane (PubChem CID 165087831) has the molecular formula C67H73BBrF2N15O4S2 and a molecular weight of 1345.27 g/mol. Its IUPAC name is 2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]acetate;[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]boronic acid;methane.

Molecular Properties

• Compound Name: 2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]acetate;[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]boronic acid;methane
• PubChem CID: 165087831
• Molecular Formula: C67H73BBrF2N15O4S2
• Molecular Weight: 1345.27 g/mol
• Exact Mass: 1343.47
• IUPAC Name: 2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]acetate;[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]boronic acid;methane
• SMILES: C.CC(C)(C)OC(=O)CC1CCN(c2ccc(Br)cn2)CC1.CCc1nc2ccc(-c3ccc(N4CCC(N)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nc2ccc(B(O)O)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
• InChI: InChI=1S/C30H29FN8S.C20H17BFN5O2S.C16H23BrN2O2.CH4/c1-3-24-29(37(2)30-36-28(25(16-32)40-30)19-4-8-22(31)9-5-19)39-18-21(7-11-27(39)35-24)20-6-10-26(34-17-20)38-14-12-23(33)13-15-38;1-3-15-19(27-11-13(21(28)29)6-9-17(27)24-15)26(2)20-25-18(16(10-23)30-20)12-4-7-14(22)8-5-12;1-16(2,3)21-15(20)10-12-6-8-19(9-7-12)14-5-4-13(17)11-18-14;/h4-11,17-18,23H,3,12-15,33H2,1-2H3;4-9,11,28-29H,3H2,1-2H3;4-5,11-12H,6-10H2,1-3H3;1H4
• InChIKey: WEQLVSBGPGRYOG-UHFFFAOYSA-N
• XLogP: 12.70
• TPSA: 239.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1345.27
LogP ≤ 5	12.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]acetate;[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]boronic acid;methane?

The IUPAC name of 2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]acetate;[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]boronic acid;methane (CID 165087831) is 2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]acetate;[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]boronic acid;methane.

What is the SMILES notation for 2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]acetate;[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]boronic acid;methane?

The canonical SMILES for 2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]acetate;[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]boronic acid;methane is C.CC(C)(C)OC(=O)CC1CCN(c2ccc(Br)cn2)CC1.CCc1nc2ccc(-c3ccc(N4CCC(N)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nc2ccc(B(O)O)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.

What is the InChIKey of 2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]acetate;[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]boronic acid;methane?

The InChIKey is WEQLVSBGPGRYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN8S.C20H17BFN5O2S.C16H23BrN2O2.CH4/c1-3-24-29(37(2)30-36-28(25(16-32)40-30)19-4-8-22(31)9-5-19)39-18-21(7-11-27(39)35-24)20-6-10-26(34-17-20)38-14-12-23(33)13-15-38;1-3-15-19(27-11-13(21(28)29)6-9-17(27)24-15)26(2)20-25-18(16(10-23)30-20)12-4-7-14(22)8-5-12;1-16(2,3)21-15(20)10-12-6-8-19(9-7-12)14-5-4-13(17)11-18-14;/h4-11,17-18,23H,3,12-15,33H2,1-2H3;4-9,11,28-29H,3H2,1-2H3;4-5,11-12H,6-10H2,1-3H3;1H4.

What are the key properties of 2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]acetate;[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]boronic acid;methane?

2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]acetate;[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]boronic acid;methane has a molecular weight of 1345.27 g/mol, XLogP of 12.70, 14 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]acetate;[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]boronic acid;methane is sourced from PubChem (CID 165087831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).