[1-(2-methoxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2-methylpyrazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1-methylpyrazol-4-yl)-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;[1-(oxetan-3-yl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone

C103H93F12N37O6 — CID 160761360

IUPAC[1-(2-methoxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2-methylpyrazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1-methylpyrazol-4-yl)-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;[1-(oxetan-3-yl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCOCCn1cc(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2C2=CCN=C2)cn1.Cn1cc(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2C2=CCN=C2)cn1.Cn1nccc1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.O=C(c1cnn(C2COC2)c1)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1C1=CCN=C1
InChIInChI=1S/C27H24F3N9O2.C27H26F3N9O2.C25H22F3N9O.C24H21F3N10O/c28-27(29,30)19-1-2-23-33-11-21(38(23)13-19)25-32-6-4-24(35-25)36-7-8-37(22(14-36)17-3-5-31-9-17)26(40)18-10-34-39(12-18)20-15-41-16-20;1-41-11-10-37-15-19(13-34-37)26(40)38-9-8-36(17-22(38)18-4-6-31-12-18)24-5-7-32-25(35-24)21-14-33-23-3-2-20(16-39(21)23)27(28,29)30;1-34-13-17(11-32-34)24(38)36-9-8-35(15-20(36)16-4-6-29-10-16)22-5-7-30-23(33-22)19-12-31-21-3-2-18(14-37(19)21)25(26,27)28;1-34-17(4-7-32-34)23(38)36-9-8-35(14-19(36)15-10-30-31-11-15)21-5-6-28-22(33-21)18-12-29-20-3-2-16(13-37(18)20)24(25,26)27/h1-4,6,9-13,20,22H,5,7-8,14-16H2;2-5,7,12-16,22H,6,8-11,17H2,1H3;2-5,7,10-14,20H,6,8-9,15H2,1H3;2-7,10-13,19H,8-9,14H2,1H3,(H,30,31)
InChIKeyRYCOQGXZRZSHOA-UHFFFAOYSA-N
MW2173.11 g/mol
LogP11.77
Rot. Bonds20

About [1-(2-methoxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2-methylpyrazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1-methylpyrazol-4-yl)-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;[1-(oxetan-3-yl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone

[1-(2-methoxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2-methylpyrazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1-methylpyrazol-4-yl)-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;[1-(oxetan-3-yl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 160761360) has the molecular formula C103H93F12N37O6 and a molecular weight of 2173.11 g/mol. Its IUPAC name is [1-(2-methoxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2-methylpyrazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1-methylpyrazol-4-yl)-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;[1-(oxetan-3-yl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-methoxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2-methylpyrazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1-methylpyrazol-4-yl)-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;[1-(oxetan-3-yl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID160761360
Molecular FormulaC103H93F12N37O6
Molecular Weight2173.11 g/mol
Exact Mass2171.79
IUPAC Name[1-(2-methoxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2-methylpyrazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1-methylpyrazol-4-yl)-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;[1-(oxetan-3-yl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCOCCn1cc(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2C2=CCN=C2)cn1.Cn1cc(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2C2=CCN=C2)cn1.Cn1nccc1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.O=C(c1cnn(C2COC2)c1)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1C1=CCN=C1
InChIInChI=1S/C27H24F3N9O2.C27H26F3N9O2.C25H22F3N9O.C24H21F3N10O/c28-27(29,30)19-1-2-23-33-11-21(38(23)13-19)25-32-6-4-24(35-25)36-7-8-37(22(14-36)17-3-5-31-9-17)26(40)18-10-34-39(12-18)20-15-41-16-20;1-41-11-10-37-15-19(13-34-37)26(40)38-9-8-36(17-22(38)18-4-6-31-12-18)24-5-7-32-25(35-24)21-14-33-23-3-2-20(16-39(21)23)27(28,29)30;1-34-13-17(11-32-34)24(38)36-9-8-35(15-20(36)16-4-6-29-10-16)22-5-7-30-23(33-22)19-12-31-21-3-2-18(14-37(19)21)25(26,27)28;1-34-17(4-7-32-34)23(38)36-9-8-35(14-19(36)15-10-30-31-11-15)21-5-6-28-22(33-21)18-12-29-20-3-2-16(13-37(18)20)24(25,26)27/h1-4,6,9-13,20,22H,5,7-8,14-16H2;2-5,7,12-16,22H,6,8-11,17H2,1H3;2-5,7,10-14,20H,6,8-9,15H2,1H3;2-7,10-13,19H,8-9,14H2,1H3,(H,30,31)
InChIKeyRYCOQGXZRZSHOA-UHFFFAOYSA-N
XLogP11.77
TPSA422.02 Ų
H-Bond Donors1
H-Bond Acceptors38
Rotatable Bonds20
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002173.11
LogP ≤ 511.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1038

Analyze [1-(2-methoxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2-methylpyrazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1-methylpyrazol-4-yl)-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;[1-(oxetan-3-yl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2-methylpyrazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1-methylpyrazol-4-yl)-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;[1-(oxetan-3-yl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of [1-(2-methoxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2-methylpyrazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1-methylpyrazol-4-yl)-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;[1-(oxetan-3-yl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (CID 160761360) is [1-(2-methoxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2-methylpyrazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1-methylpyrazol-4-yl)-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;[1-(oxetan-3-yl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for [1-(2-methoxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2-methylpyrazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1-methylpyrazol-4-yl)-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;[1-(oxetan-3-yl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for [1-(2-methoxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2-methylpyrazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1-methylpyrazol-4-yl)-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;[1-(oxetan-3-yl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone is COCCn1cc(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2C2=CCN=C2)cn1.Cn1cc(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2C2=CCN=C2)cn1.Cn1nccc1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.O=C(c1cnn(C2COC2)c1)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1C1=CCN=C1.
What is the InChIKey of [1-(2-methoxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2-methylpyrazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1-methylpyrazol-4-yl)-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;[1-(oxetan-3-yl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is RYCOQGXZRZSHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N9O2.C27H26F3N9O2.C25H22F3N9O.C24H21F3N10O/c28-27(29,30)19-1-2-23-33-11-21(38(23)13-19)25-32-6-4-24(35-25)36-7-8-37(22(14-36)17-3-5-31-9-17)26(40)18-10-34-39(12-18)20-15-41-16-20;1-41-11-10-37-15-19(13-34-37)26(40)38-9-8-36(17-22(38)18-4-6-31-12-18)24-5-7-32-25(35-24)21-14-33-23-3-2-20(16-39(21)23)27(28,29)30;1-34-13-17(11-32-34)24(38)36-9-8-35(15-20(36)16-4-6-29-10-16)22-5-7-30-23(33-22)19-12-31-21-3-2-18(14-37(19)21)25(26,27)28;1-34-17(4-7-32-34)23(38)36-9-8-35(14-19(36)15-10-30-31-11-15)21-5-6-28-22(33-21)18-12-29-20-3-2-16(13-37(18)20)24(25,26)27/h1-4,6,9-13,20,22H,5,7-8,14-16H2;2-5,7,12-16,22H,6,8-11,17H2,1H3;2-5,7,10-14,20H,6,8-9,15H2,1H3;2-7,10-13,19H,8-9,14H2,1H3,(H,30,31).
What are the key properties of [1-(2-methoxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2-methylpyrazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1-methylpyrazol-4-yl)-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;[1-(oxetan-3-yl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
[1-(2-methoxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2-methylpyrazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1-methylpyrazol-4-yl)-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;[1-(oxetan-3-yl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 2173.11 g/mol, XLogP of 11.77, 20 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2-methylpyrazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1-methylpyrazol-4-yl)-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;[1-(oxetan-3-yl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 160761360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).