3-(3,5-dimethylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one

C95H90F12N36O6 — CID 158403413

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
SMILESCC(O)C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.Cc1cc(C)n(CCC(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)n1.O=C(CCn1ccnc1)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.O=C(CO)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1
InChIInChI=1S/C27H27F3N10O.C25H23F3N10O.C22H21F3N8O2.C21H19F3N8O2/c1-17-11-18(2)40(36-17)8-6-25(41)38-10-9-37(16-22(38)19-12-33-34-13-19)24-5-7-31-26(35-24)21-14-32-23-4-3-20(15-39(21)23)27(28,29)30;26-25(27,28)18-1-2-21-31-13-19(38(21)14-18)24-30-5-3-22(34-24)36-9-10-37(20(15-36)17-11-32-33-12-17)23(39)4-7-35-8-6-29-16-35;1-13(34)21(35)32-7-6-31(12-17(32)14-8-28-29-9-14)19-4-5-26-20(30-19)16-10-27-18-3-2-15(11-33(16)18)22(23,24)25;22-21(23,24)14-1-2-17-26-9-15(32(17)10-14)20-25-4-3-18(29-20)30-5-6-31(19(34)12-33)16(11-30)13-7-27-28-8-13/h3-5,7,11-15,22H,6,8-10,16H2,1-2H3,(H,33,34);1-3,5-6,8,11-14,16,20H,4,7,9-10,15H2,(H,32,33);2-5,8-11,13,17,34H,6-7,12H2,1H3,(H,28,29);1-4,7-10,16,33H,5-6,11-12H2,(H,27,28)
InChIKeyGYJOEECAPZKLTD-UHFFFAOYSA-N
MW2059.99 g/mol
LogP11.26
Rot. Bonds20

About 3-(3,5-dimethylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one

3-(3,5-dimethylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one (PubChem CID 158403413) has the molecular formula C95H90F12N36O6 and a molecular weight of 2059.99 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
PubChem CID158403413
Molecular FormulaC95H90F12N36O6
Molecular Weight2059.99 g/mol
Exact Mass2058.77
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
SMILESCC(O)C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.Cc1cc(C)n(CCC(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)n1.O=C(CCn1ccnc1)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.O=C(CO)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1
InChIInChI=1S/C27H27F3N10O.C25H23F3N10O.C22H21F3N8O2.C21H19F3N8O2/c1-17-11-18(2)40(36-17)8-6-25(41)38-10-9-37(16-22(38)19-12-33-34-13-19)24-5-7-31-26(35-24)21-14-32-23-4-3-20(15-39(21)23)27(28,29)30;26-25(27,28)18-1-2-21-31-13-19(38(21)14-18)24-30-5-3-22(34-24)36-9-10-37(20(15-36)17-11-32-33-12-17)23(39)4-7-35-8-6-29-16-35;1-13(34)21(35)32-7-6-31(12-17(32)14-8-28-29-9-14)19-4-5-26-20(30-19)16-10-27-18-3-2-15(11-33(16)18)22(23,24)25;22-21(23,24)14-1-2-17-26-9-15(32(17)10-14)20-25-4-3-18(29-20)30-5-6-31(19(34)12-33)16(11-30)13-7-27-28-8-13/h3-5,7,11-15,22H,6,8-10,16H2,1-2H3,(H,33,34);1-3,5-6,8,11-14,16,20H,4,7,9-10,15H2,(H,32,33);2-5,8-11,13,17,34H,6-7,12H2,1H3,(H,28,29);1-4,7-10,16,33H,5-6,11-12H2,(H,27,28)
InChIKeyGYJOEECAPZKLTD-UHFFFAOYSA-N
XLogP11.26
TPSA457.34 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds20
Heavy Atoms149
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002059.99
LogP ≤ 511.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Analyze 3-(3,5-dimethylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one (CID 158403413) is 3-(3,5-dimethylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one is CC(O)C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.Cc1cc(C)n(CCC(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)n1.O=C(CCn1ccnc1)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.O=C(CO)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The InChIKey is GYJOEECAPZKLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N10O.C25H23F3N10O.C22H21F3N8O2.C21H19F3N8O2/c1-17-11-18(2)40(36-17)8-6-25(41)38-10-9-37(16-22(38)19-12-33-34-13-19)24-5-7-31-26(35-24)21-14-32-23-4-3-20(15-39(21)23)27(28,29)30;26-25(27,28)18-1-2-21-31-13-19(38(21)14-18)24-30-5-3-22(34-24)36-9-10-37(20(15-36)17-11-32-33-12-17)23(39)4-7-35-8-6-29-16-35;1-13(34)21(35)32-7-6-31(12-17(32)14-8-28-29-9-14)19-4-5-26-20(30-19)16-10-27-18-3-2-15(11-33(16)18)22(23,24)25;22-21(23,24)14-1-2-17-26-9-15(32(17)10-14)20-25-4-3-18(29-20)30-5-6-31(19(34)12-33)16(11-30)13-7-27-28-8-13/h3-5,7,11-15,22H,6,8-10,16H2,1-2H3,(H,33,34);1-3,5-6,8,11-14,16,20H,4,7,9-10,15H2,(H,32,33);2-5,8-11,13,17,34H,6-7,12H2,1H3,(H,28,29);1-4,7-10,16,33H,5-6,11-12H2,(H,27,28).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
3-(3,5-dimethylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one has a molecular weight of 2059.99 g/mol, XLogP of 11.26, 20 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 158403413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).