1-[4-[2-[(2,3-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone

C89H98F8N24O4 — CID 159760723

IUPAC1-[4-[2-[(2,3-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(Cc3cc(F)ccc3F)n2)CC1.CC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(Cc3cccc(C(F)(F)F)c3)n2)CC1.CC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(Cc3cccc(F)c3)n2)CC1.CC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(Cc3cccc(F)c3F)n2)CC1
InChIInChI=1S/C23H25F3N6O.2C22H24F2N6O.C22H25FN6O/c1-15-11-16(2)32(29-15)22-14-21(31-9-7-30(8-10-31)17(3)33)27-20(28-22)13-18-5-4-6-19(12-18)23(24,25)26;1-14-10-15(2)30(27-14)22-13-21(29-8-6-28(7-9-29)16(3)31)25-20(26-22)12-17-11-18(23)4-5-19(17)24;1-14-11-15(2)30(27-14)21-13-20(29-9-7-28(8-10-29)16(3)31)25-19(26-21)12-17-5-4-6-18(23)22(17)24;1-15-11-16(2)29(26-15)22-14-21(28-9-7-27(8-10-28)17(3)30)24-20(25-22)13-18-5-4-6-19(23)12-18/h4-6,11-12,14H,7-10,13H2,1-3H3;4-5,10-11,13H,6-9,12H2,1-3H3;4-6,11,13H,7-10,12H2,1-3H3;4-6,11-12,14H,7-10,13H2,1-3H3
InChIKeyNEVOISZNQQWFJN-UHFFFAOYSA-N
MW1719.91 g/mol
LogP11.87
Rot. Bonds16

About 1-[4-[2-[(2,3-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone

1-[4-[2-[(2,3-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 159760723) has the molecular formula C89H98F8N24O4 and a molecular weight of 1719.91 g/mol. Its IUPAC name is 1-[4-[2-[(2,3-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[(2,3-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID159760723
Molecular FormulaC89H98F8N24O4
Molecular Weight1719.91 g/mol
Exact Mass1718.81
IUPAC Name1-[4-[2-[(2,3-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(Cc3cc(F)ccc3F)n2)CC1.CC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(Cc3cccc(C(F)(F)F)c3)n2)CC1.CC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(Cc3cccc(F)c3)n2)CC1.CC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(Cc3cccc(F)c3F)n2)CC1
InChIInChI=1S/C23H25F3N6O.2C22H24F2N6O.C22H25FN6O/c1-15-11-16(2)32(29-15)22-14-21(31-9-7-30(8-10-31)17(3)33)27-20(28-22)13-18-5-4-6-19(12-18)23(24,25)26;1-14-10-15(2)30(27-14)22-13-21(29-8-6-28(7-9-29)16(3)31)25-20(26-22)12-17-11-18(23)4-5-19(17)24;1-14-11-15(2)30(27-14)21-13-20(29-9-7-28(8-10-29)16(3)31)25-19(26-21)12-17-5-4-6-18(23)22(17)24;1-15-11-16(2)29(26-15)22-14-21(28-9-7-27(8-10-28)17(3)30)24-20(25-22)13-18-5-4-6-19(23)12-18/h4-6,11-12,14H,7-10,13H2,1-3H3;4-5,10-11,13H,6-9,12H2,1-3H3;4-6,11,13H,7-10,12H2,1-3H3;4-6,11-12,14H,7-10,13H2,1-3H3
InChIKeyNEVOISZNQQWFJN-UHFFFAOYSA-N
XLogP11.87
TPSA268.60 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms125
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001719.91
LogP ≤ 511.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 1-[4-[2-[(2,3-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(2,3-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[(2,3-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 159760723) is 1-[4-[2-[(2,3-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[(2,3-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[(2,3-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(Cc3cc(F)ccc3F)n2)CC1.CC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(Cc3cccc(C(F)(F)F)c3)n2)CC1.CC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(Cc3cccc(F)c3)n2)CC1.CC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(Cc3cccc(F)c3F)n2)CC1.
What is the InChIKey of 1-[4-[2-[(2,3-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is NEVOISZNQQWFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O.2C22H24F2N6O.C22H25FN6O/c1-15-11-16(2)32(29-15)22-14-21(31-9-7-30(8-10-31)17(3)33)27-20(28-22)13-18-5-4-6-19(12-18)23(24,25)26;1-14-10-15(2)30(27-14)22-13-21(29-8-6-28(7-9-29)16(3)31)25-20(26-22)12-17-11-18(23)4-5-19(17)24;1-14-11-15(2)30(27-14)21-13-20(29-9-7-28(8-10-29)16(3)31)25-19(26-21)12-17-5-4-6-18(23)22(17)24;1-15-11-16(2)29(26-15)22-14-21(28-9-7-27(8-10-28)17(3)30)24-20(25-22)13-18-5-4-6-19(23)12-18/h4-6,11-12,14H,7-10,13H2,1-3H3;4-5,10-11,13H,6-9,12H2,1-3H3;4-6,11,13H,7-10,12H2,1-3H3;4-6,11-12,14H,7-10,13H2,1-3H3.
What are the key properties of 1-[4-[2-[(2,3-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[2-[(2,3-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 1719.91 g/mol, XLogP of 11.87, 16 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(2,3-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 159760723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).