4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide;4-fluoro-1-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;methyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetamide;3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one

C116H113F5N30O7 — CID 157201016

About 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide;4-fluoro-1-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;methyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetamide;3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one

4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide;4-fluoro-1-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;methyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetamide;3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 157201016) has the molecular formula C116H113F5N30O7 and a molecular weight of 2134.37 g/mol. Its IUPAC name is 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide;4-fluoro-1-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;methyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetamide;3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

• Compound Name: 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide;4-fluoro-1-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;methyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetamide;3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one
• PubChem CID: 157201016
• Molecular Formula: C116H113F5N30O7
• Molecular Weight: 2134.37 g/mol
• Exact Mass: 2132.93
• IUPAC Name: 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide;4-fluoro-1-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;methyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetamide;3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one
• SMILES: CNC(=O)N1CCC(Oc2cccc3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)CC1.COC(=O)N1CCC(Oc2cccc3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)CC1.Cn1cc(-c2ccc(-c3cnn4cccc(N5CCC(F)(C#N)CC5)c34)cc2)cn1.Cn1cc(C#Cc2cnc3cccc(N4CCC(CC(N)=O)CC4)n23)cn1.Cn1cc(C#Cc2cnc3cccc(N4CCC(n5c(=O)[nH]c6ccccc65)CC4)n23)cn1
• InChI: InChI=1S/C25H23N7O.C24H24F2N6O2.C24H23F2N5O3.C23H21FN6.C20H22N6O/c1-29-17-18(15-27-29)9-10-20-16-26-23-7-4-8-24(32(20)23)30-13-11-19(12-14-30)31-22-6-3-2-5-21(22)28-25(31)33;1-27-24(33)30-11-9-19(10-12-30)34-22-4-2-3-21-28-14-20(32(21)22)17-7-5-16(6-8-17)18-13-29-31(15-18)23(25)26;1-33-24(32)29-11-9-19(10-12-29)34-22-4-2-3-21-27-14-20(31(21)22)17-7-5-16(6-8-17)18-13-28-30(15-18)23(25)26;1-28-15-19(13-26-28)17-4-6-18(7-5-17)20-14-27-30-10-2-3-21(22(20)30)29-11-8-23(24,16-25)9-12-29;1-24-14-16(12-23-24)5-6-17-13-22-19-3-2-4-20(26(17)19)25-9-7-15(8-10-25)11-18(21)27/h2-8,15-17,19H,11-14H2,1H3,(H,28,33);2-8,13-15,19,23H,9-12H2,1H3,(H,27,33);2-8,13-15,19,23H,9-12H2,1H3;2-7,10,13-15H,8-9,11-12H2,1H3;2-4,12-15H,7-11H2,1H3,(H2,21,27)
• InChIKey: AQUIYLJOMJJHDP-UHFFFAOYSA-N
• XLogP: 18.06
• TPSA: 370.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 18
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2134.37
LogP ≤ 5	18.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide;4-fluoro-1-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;methyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetamide;3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one?

The IUPAC name of 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide;4-fluoro-1-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;methyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetamide;3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 157201016) is 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide;4-fluoro-1-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;methyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetamide;3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one.

What is the SMILES notation for 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide;4-fluoro-1-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;methyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetamide;3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one?

The canonical SMILES for 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide;4-fluoro-1-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;methyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetamide;3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one is CNC(=O)N1CCC(Oc2cccc3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)CC1.COC(=O)N1CCC(Oc2cccc3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)CC1.Cn1cc(-c2ccc(-c3cnn4cccc(N5CCC(F)(C#N)CC5)c34)cc2)cn1.Cn1cc(C#Cc2cnc3cccc(N4CCC(CC(N)=O)CC4)n23)cn1.Cn1cc(C#Cc2cnc3cccc(N4CCC(n5c(=O)[nH]c6ccccc65)CC4)n23)cn1.

What is the InChIKey of 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide;4-fluoro-1-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;methyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetamide;3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one?

The InChIKey is AQUIYLJOMJJHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O.C24H24F2N6O2.C24H23F2N5O3.C23H21FN6.C20H22N6O/c1-29-17-18(15-27-29)9-10-20-16-26-23-7-4-8-24(32(20)23)30-13-11-19(12-14-30)31-22-6-3-2-5-21(22)28-25(31)33;1-27-24(33)30-11-9-19(10-12-30)34-22-4-2-3-21-28-14-20(32(21)22)17-7-5-16(6-8-17)18-13-29-31(15-18)23(25)26;1-33-24(32)29-11-9-19(10-12-29)34-22-4-2-3-21-27-14-20(31(21)22)17-7-5-16(6-8-17)18-13-28-30(15-18)23(25)26;1-28-15-19(13-26-28)17-4-6-18(7-5-17)20-14-27-30-10-2-3-21(22(20)30)29-11-8-23(24,16-25)9-12-29;1-24-14-16(12-23-24)5-6-17-13-22-19-3-2-4-20(26(17)19)25-9-7-15(8-10-25)11-18(21)27/h2-8,15-17,19H,11-14H2,1H3,(H,28,33);2-8,13-15,19,23H,9-12H2,1H3,(H,27,33);2-8,13-15,19,23H,9-12H2,1H3;2-7,10,13-15H,8-9,11-12H2,1H3;2-4,12-15H,7-11H2,1H3,(H2,21,27).

What are the key properties of 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide;4-fluoro-1-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;methyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetamide;3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one?

4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide;4-fluoro-1-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;methyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetamide;3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 2134.37 g/mol, XLogP of 18.06, 18 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide;4-fluoro-1-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;methyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetamide;3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 157201016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).