2-[[6-[2-[4-(azetidin-3-ylmethyl)piperidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 3-aminoazetidine-1-carboxylate;2-[[2-ethyl-6-[2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane

C72H83F2N19O3S2 — CID 164983659

About 2-[[6-[2-[4-(azetidin-3-ylmethyl)piperidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 3-aminoazetidine-1-carboxylate;2-[[2-ethyl-6-[2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane

2-[[6-[2-[4-(azetidin-3-ylmethyl)piperidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 3-aminoazetidine-1-carboxylate;2-[[2-ethyl-6-[2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane (PubChem CID 164983659) has the molecular formula C72H83F2N19O3S2 and a molecular weight of 1364.72 g/mol. Its IUPAC name is 2-[[6-[2-[4-(azetidin-3-ylmethyl)piperidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 3-aminoazetidine-1-carboxylate;2-[[2-ethyl-6-[2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane.

Molecular Properties

• Compound Name: 2-[[6-[2-[4-(azetidin-3-ylmethyl)piperidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 3-aminoazetidine-1-carboxylate;2-[[2-ethyl-6-[2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane
• PubChem CID: 164983659
• Molecular Formula: C72H83F2N19O3S2
• Molecular Weight: 1364.72 g/mol
• Exact Mass: 1363.63
• IUPAC Name: 2-[[6-[2-[4-(azetidin-3-ylmethyl)piperidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 3-aminoazetidine-1-carboxylate;2-[[2-ethyl-6-[2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane
• SMILES: C.C.CC(C)(C)OC(=O)N1CC(N)C1.CCc1nc2ccc(-c3cnc(N4CCC(=O)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nc2ccc(-c3cnc(N4CCC(CC5CNC5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
• InChI: InChI=1S/C33H34FN9S.C29H25FN8OS.C8H16N2O2.2CH4/c1-3-27-31(41(2)33-40-30(28(15-35)44-33)23-4-7-26(34)8-5-23)43-20-24(6-9-29(43)39-27)25-18-37-32(38-19-25)42-12-10-21(11-13-42)14-22-16-36-17-22;1-3-23-27(36(2)29-35-26(24(14-31)40-29)18-4-7-21(30)8-5-18)38-17-19(6-9-25(38)34-23)20-15-32-28(33-16-20)37-12-10-22(39)11-13-37;1-8(2,3)12-7(11)10-4-6(9)5-10;;/h4-9,18-22,36H,3,10-14,16-17H2,1-2H3;4-9,15-17H,3,10-13H2,1-2H3;6H,4-5,9H2,1-3H3;2*1H4
• InChIKey: FVRDYILRBIBYMN-UHFFFAOYSA-N
• XLogP: 13.34
• TPSA: 257.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1364.72
LogP ≤ 5	13.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[2-[4-(azetidin-3-ylmethyl)piperidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 3-aminoazetidine-1-carboxylate;2-[[2-ethyl-6-[2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane?

The IUPAC name of 2-[[6-[2-[4-(azetidin-3-ylmethyl)piperidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 3-aminoazetidine-1-carboxylate;2-[[2-ethyl-6-[2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane (CID 164983659) is 2-[[6-[2-[4-(azetidin-3-ylmethyl)piperidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 3-aminoazetidine-1-carboxylate;2-[[2-ethyl-6-[2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane.

What is the SMILES notation for 2-[[6-[2-[4-(azetidin-3-ylmethyl)piperidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 3-aminoazetidine-1-carboxylate;2-[[2-ethyl-6-[2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane?

The canonical SMILES for 2-[[6-[2-[4-(azetidin-3-ylmethyl)piperidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 3-aminoazetidine-1-carboxylate;2-[[2-ethyl-6-[2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane is C.C.CC(C)(C)OC(=O)N1CC(N)C1.CCc1nc2ccc(-c3cnc(N4CCC(=O)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nc2ccc(-c3cnc(N4CCC(CC5CNC5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.

What is the InChIKey of 2-[[6-[2-[4-(azetidin-3-ylmethyl)piperidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 3-aminoazetidine-1-carboxylate;2-[[2-ethyl-6-[2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane?

The InChIKey is FVRDYILRBIBYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34FN9S.C29H25FN8OS.C8H16N2O2.2CH4/c1-3-27-31(41(2)33-40-30(28(15-35)44-33)23-4-7-26(34)8-5-23)43-20-24(6-9-29(43)39-27)25-18-37-32(38-19-25)42-12-10-21(11-13-42)14-22-16-36-17-22;1-3-23-27(36(2)29-35-26(24(14-31)40-29)18-4-7-21(30)8-5-18)38-17-19(6-9-25(38)34-23)20-15-32-28(33-16-20)37-12-10-22(39)11-13-37;1-8(2,3)12-7(11)10-4-6(9)5-10;;/h4-9,18-22,36H,3,10-14,16-17H2,1-2H3;4-9,15-17H,3,10-13H2,1-2H3;6H,4-5,9H2,1-3H3;2*1H4.

What are the key properties of 2-[[6-[2-[4-(azetidin-3-ylmethyl)piperidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 3-aminoazetidine-1-carboxylate;2-[[2-ethyl-6-[2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane?

2-[[6-[2-[4-(azetidin-3-ylmethyl)piperidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 3-aminoazetidine-1-carboxylate;2-[[2-ethyl-6-[2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane has a molecular weight of 1364.72 g/mol, XLogP of 13.34, 14 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[2-[4-(azetidin-3-ylmethyl)piperidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 3-aminoazetidine-1-carboxylate;2-[[2-ethyl-6-[2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane is sourced from PubChem (CID 164983659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).