1-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]piperidine-4-carboxylic acid;deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;morpholine

C71H75F3N16O5S2 — CID 165099615

About 1-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]piperidine-4-carboxylic acid;deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;morpholine

1-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]piperidine-4-carboxylic acid;deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;morpholine (PubChem CID 165099615) has the molecular formula C71H75F3N16O5S2 and a molecular weight of 1354.62 g/mol. Its IUPAC name is 1-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]piperidine-4-carboxylic acid;deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;morpholine.

Molecular Properties

• Compound Name: 1-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]piperidine-4-carboxylic acid;deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;morpholine
• PubChem CID: 165099615
• Molecular Formula: C71H75F3N16O5S2
• Molecular Weight: 1354.62 g/mol
• Exact Mass: 1353.56
• IUPAC Name: 1-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]piperidine-4-carboxylic acid;deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;morpholine
• SMILES: C1COCCN1.CCc1nc2ccc(-c3ccc(N4CCC(C(=O)N5CCOCC5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nc2ccc(-c3ccc(N4CCC(C(=O)O)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.[2H]CF
• InChI: InChI=1S/C35H35FN8O2S.C31H28FN7O2S.C4H9NO.CH3F/c1-3-28-33(41(2)35-40-32(29(20-37)47-35)23-4-8-27(36)9-5-23)44-22-26(7-11-31(44)39-28)25-6-10-30(38-21-25)42-14-12-24(13-15-42)34(45)43-16-18-46-19-17-43;1-3-24-29(37(2)31-36-28(25(16-33)42-31)19-4-8-23(32)9-5-19)39-18-22(7-11-27(39)35-24)21-6-10-26(34-17-21)38-14-12-20(13-15-38)30(40)41;1-3-6-4-2-5-1;1-2/h4-11,21-22,24H,3,12-19H2,1-2H3;4-11,17-18,20H,3,12-15H2,1-2H3,(H,40,41);5H,1-4H2;1H3/i;;;1D
• InChIKey: YCIUCVMOUUDPTP-PBJKEDEQSA-N
• XLogP: 12.29
• TPSA: 234.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1354.62
LogP ≤ 5	12.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]piperidine-4-carboxylic acid;deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;morpholine?

The IUPAC name of 1-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]piperidine-4-carboxylic acid;deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;morpholine (CID 165099615) is 1-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]piperidine-4-carboxylic acid;deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;morpholine.

What is the SMILES notation for 1-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]piperidine-4-carboxylic acid;deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;morpholine?

The canonical SMILES for 1-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]piperidine-4-carboxylic acid;deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;morpholine is C1COCCN1.CCc1nc2ccc(-c3ccc(N4CCC(C(=O)N5CCOCC5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nc2ccc(-c3ccc(N4CCC(C(=O)O)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.[2H]CF.

What is the InChIKey of 1-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]piperidine-4-carboxylic acid;deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;morpholine?

The InChIKey is YCIUCVMOUUDPTP-PBJKEDEQSA-N. The full InChI is InChI=1S/C35H35FN8O2S.C31H28FN7O2S.C4H9NO.CH3F/c1-3-28-33(41(2)35-40-32(29(20-37)47-35)23-4-8-27(36)9-5-23)44-22-26(7-11-31(44)39-28)25-6-10-30(38-21-25)42-14-12-24(13-15-42)34(45)43-16-18-46-19-17-43;1-3-24-29(37(2)31-36-28(25(16-33)42-31)19-4-8-23(32)9-5-19)39-18-22(7-11-27(39)35-24)21-6-10-26(34-17-21)38-14-12-20(13-15-38)30(40)41;1-3-6-4-2-5-1;1-2/h4-11,21-22,24H,3,12-19H2,1-2H3;4-11,17-18,20H,3,12-15H2,1-2H3,(H,40,41);5H,1-4H2;1H3/i;;;1D.

What are the key properties of 1-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]piperidine-4-carboxylic acid;deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;morpholine?

1-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]piperidine-4-carboxylic acid;deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;morpholine has a molecular weight of 1354.62 g/mol, XLogP of 12.29, 14 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]piperidine-4-carboxylic acid;deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;morpholine is sourced from PubChem (CID 165099615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).