2-[[2-ethyl-6-[6-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-[2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;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;2-[[2-ethyl-6-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C138H138F4N34O8S4 — CID 165100304

About 2-[[2-ethyl-6-[6-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-[2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;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;2-[[2-ethyl-6-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[2-ethyl-6-[6-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-[2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;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;2-[[2-ethyl-6-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 165100304) has the molecular formula C138H138F4N34O8S4 and a molecular weight of 2605.11 g/mol. Its IUPAC name is 2-[[2-ethyl-6-[6-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-[2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;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;2-[[2-ethyl-6-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

• Compound Name: 2-[[2-ethyl-6-[6-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-[2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;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;2-[[2-ethyl-6-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• PubChem CID: 165100304
• Molecular Formula: C138H138F4N34O8S4
• Molecular Weight: 2605.11 g/mol
• Exact Mass: 2603.03
• IUPAC Name: 2-[[2-ethyl-6-[6-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-[2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;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;2-[[2-ethyl-6-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• SMILES: CCc1nc2ccc(-c3ccc(N4CCC(C(=O)N5CCOCC5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nc2ccc(-c3ccc(N4CCC(C(=O)N5CC[C@@H](O)C5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nc2ccc(-c3cnc(N4CCC(C(=O)N5CCOCC5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nc2ccc(-c3cnc(N4CCC(C(=O)N5CC[C@@H](O)C5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
• InChI: InChI=1S/2C35H35FN8O2S.2C34H34FN9O2S/c1-3-28-33(41(2)35-40-32(29(18-37)47-35)22-4-8-26(36)9-5-22)44-20-25(7-11-31(44)39-28)24-6-10-30(38-19-24)42-15-12-23(13-16-42)34(46)43-17-14-27(45)21-43;1-3-28-33(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;1-3-27-31(41(2)34-40-30(28(16-36)47-34)21-4-7-25(35)8-5-21)44-19-23(6-9-29(44)39-27)24-17-37-33(38-18-24)42-13-10-22(11-14-42)32(46)43-15-12-26(45)20-43;1-3-27-31(41(2)34-40-30(28(18-36)47-34)22-4-7-26(35)8-5-22)44-21-24(6-9-29(44)39-27)25-19-37-33(38-20-25)43-12-10-23(11-13-43)32(45)42-14-16-46-17-15-42/h4-11,19-20,23,27,45H,3,12-17,21H2,1-2H3;4-11,21-22,24H,3,12-19H2,1-2H3;4-9,17-19,22,26,45H,3,10-15,20H2,1-2H3;4-9,19-21,23H,3,10-17H2,1-2H3/t27-;;26-;/m1.1./s1
• InChIKey: YFDGABNOJPLZTO-YLMRGYQVSA-N
• XLogP: 22.00
• TPSA: 459.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 42
• Rotatable Bonds: 28
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2605.11
LogP ≤ 5	22.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-6-[6-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-[2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;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;2-[[2-ethyl-6-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The IUPAC name of 2-[[2-ethyl-6-[6-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-[2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;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;2-[[2-ethyl-6-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 165100304) is 2-[[2-ethyl-6-[6-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-[2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;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;2-[[2-ethyl-6-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

What is the SMILES notation for 2-[[2-ethyl-6-[6-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-[2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;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;2-[[2-ethyl-6-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The canonical SMILES for 2-[[2-ethyl-6-[6-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-[2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;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;2-[[2-ethyl-6-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nc2ccc(-c3ccc(N4CCC(C(=O)N5CCOCC5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nc2ccc(-c3ccc(N4CCC(C(=O)N5CC[C@@H](O)C5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nc2ccc(-c3cnc(N4CCC(C(=O)N5CCOCC5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nc2ccc(-c3cnc(N4CCC(C(=O)N5CC[C@@H](O)C5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.

What is the InChIKey of 2-[[2-ethyl-6-[6-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-[2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;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;2-[[2-ethyl-6-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The InChIKey is YFDGABNOJPLZTO-YLMRGYQVSA-N. The full InChI is InChI=1S/2C35H35FN8O2S.2C34H34FN9O2S/c1-3-28-33(41(2)35-40-32(29(18-37)47-35)22-4-8-26(36)9-5-22)44-20-25(7-11-31(44)39-28)24-6-10-30(38-19-24)42-15-12-23(13-16-42)34(46)43-17-14-27(45)21-43;1-3-28-33(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;1-3-27-31(41(2)34-40-30(28(16-36)47-34)21-4-7-25(35)8-5-21)44-19-23(6-9-29(44)39-27)24-17-37-33(38-18-24)42-13-10-22(11-14-42)32(46)43-15-12-26(45)20-43;1-3-27-31(41(2)34-40-30(28(18-36)47-34)22-4-7-26(35)8-5-22)44-21-24(6-9-29(44)39-27)25-19-37-33(38-20-25)43-12-10-23(11-13-43)32(45)42-14-16-46-17-15-42/h4-11,19-20,23,27,45H,3,12-17,21H2,1-2H3;4-11,21-22,24H,3,12-19H2,1-2H3;4-9,17-19,22,26,45H,3,10-15,20H2,1-2H3;4-9,19-21,23H,3,10-17H2,1-2H3/t27-;;26-;/m1.1./s1.

What are the key properties of 2-[[2-ethyl-6-[6-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-[2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;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;2-[[2-ethyl-6-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

2-[[2-ethyl-6-[6-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-[2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;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;2-[[2-ethyl-6-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 2605.11 g/mol, XLogP of 22.00, 28 rotatable bonds, 2 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-ethyl-6-[6-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-[2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;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;2-[[2-ethyl-6-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 165100304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).