2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C81H79F4N17O7 — CID 157326077

IUPAC2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCOc1cc(N2CCN(C(=O)Cn3nc(-c4ccc(OC(F)F)cc4)cc3-c3ccccc3)CC2)ncn1.COc1ccc(-c2cc(-c3ccccc3)n(CC(=O)N3CCN(c4ncccn4)CC3)n2)cc1C.O=C(Cn1nc(-c2ccc(OC(F)F)cc2)cc1-c1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C27H26F2N6O3.C27H25F2N5O2.C27H28N6O2/c1-37-25-16-24(30-18-31-25)33-11-13-34(14-12-33)26(36)17-35-23(20-5-3-2-4-6-20)15-22(32-35)19-7-9-21(10-8-19)38-27(28)29;28-27(29)36-22-11-9-20(10-12-22)23-18-24(21-6-2-1-3-7-21)34(31-23)19-26(35)33-16-14-32(15-17-33)25-8-4-5-13-30-25;1-20-17-22(9-10-25(20)35-2)23-18-24(21-7-4-3-5-8-21)33(30-23)19-26(34)31-13-15-32(16-14-31)27-28-11-6-12-29-27/h2-10,15-16,18,27H,11-14,17H2,1H3;1-13,18,27H,14-17,19H2;3-12,17-18H,13-16,19H2,1-2H3
InChIKeyBESRSIQARYNBSU-UHFFFAOYSA-N
MW1478.63 g/mol
LogP12.20
Rot. Bonds21

About 2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 157326077) has the molecular formula C81H79F4N17O7 and a molecular weight of 1478.63 g/mol. Its IUPAC name is 2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID157326077
Molecular FormulaC81H79F4N17O7
Molecular Weight1478.63 g/mol
Exact Mass1477.63
IUPAC Name2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCOc1cc(N2CCN(C(=O)Cn3nc(-c4ccc(OC(F)F)cc4)cc3-c3ccccc3)CC2)ncn1.COc1ccc(-c2cc(-c3ccccc3)n(CC(=O)N3CCN(c4ncccn4)CC3)n2)cc1C.O=C(Cn1nc(-c2ccc(OC(F)F)cc2)cc1-c1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C27H26F2N6O3.C27H25F2N5O2.C27H28N6O2/c1-37-25-16-24(30-18-31-25)33-11-13-34(14-12-33)26(36)17-35-23(20-5-3-2-4-6-20)15-22(32-35)19-7-9-21(10-8-19)38-27(28)29;28-27(29)36-22-11-9-20(10-12-22)23-18-24(21-6-2-1-3-7-21)34(31-23)19-26(35)33-16-14-32(15-17-33)25-8-4-5-13-30-25;1-20-17-22(9-10-25(20)35-2)23-18-24(21-7-4-3-5-8-21)33(30-23)19-26(34)31-13-15-32(16-14-31)27-28-11-6-12-29-27/h2-10,15-16,18,27H,11-14,17H2,1H3;1-13,18,27H,14-17,19H2;3-12,17-18H,13-16,19H2,1-2H3
InChIKeyBESRSIQARYNBSU-UHFFFAOYSA-N
XLogP12.20
TPSA225.48 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001478.63
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-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

2-[3-[4-(Difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 71565465
2-[3-[4-(Difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 89593053
2-[3-[4-(Difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone
CID 89593058
2-[3-[5-(Difluoromethoxy)pyridin-2-yl]-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone
CID 89593062
1-[8-(4-Fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-[2-methoxy-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-(4-methylpiperazin-1-yl)phenyl]hydrazine
CID 91604147
1-Ethyl-3-[4-[6-[1-[2-[4-[[4-(3-fluoro-4-methoxyphenyl)-6-[1-[2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetyl]piperidin-3-yl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetyl]pyrrolidin-2-yl]-5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]urea
CID 123201217
N-ethyl-2-[4-[[4-(4-ethylphenyl)-1-[[4-[[4-[4-[2-[4-[[4-(3-fluoro-4-propoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetyl]morpholin-3-yl]-6-[3-fluoro-4-(3,3,3-trifluoropropoxy)phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]methyl]-5-methylpyrimidin-1-ium-2-yl]amino]pyrazol-1-yl]acetamide
CID 123292907
1-[3-[2-[[1-[2-(3,5-dimethylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-6-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-4-yl]-4-methylpiperazin-1-yl]-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methyl-1-[[4-[[5-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]pyrimidin-2-yl]amino]pyrazol-1-yl]methyl]pyrimidin-1-ium-2-yl]amino]pyrazol-1-yl]ethanone
CID 123374972
(E)-3-[2-[5-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-4-fluoropyridin-2-yl]oxyphenyl]-1-[(3R)-3-[4-amino-3-[6-[4-(trifluoromethyl)phenoxy]pyridin-3-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 134531646
2-Amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one
CID 137394608
[5-(4-Fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-[5-pyrimidin-5-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 157202689
(2S)-2-[(3R)-4-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-3-methylpiperazin-1-yl]-N,N-dimethyl-2-phenylacetamide;(2R)-2-[(3R)-4-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-3-methylpiperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 157325891

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 157326077) is 2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is COc1cc(N2CCN(C(=O)Cn3nc(-c4ccc(OC(F)F)cc4)cc3-c3ccccc3)CC2)ncn1.COc1ccc(-c2cc(-c3ccccc3)n(CC(=O)N3CCN(c4ncccn4)CC3)n2)cc1C.O=C(Cn1nc(-c2ccc(OC(F)F)cc2)cc1-c1ccccc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is BESRSIQARYNBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N6O3.C27H25F2N5O2.C27H28N6O2/c1-37-25-16-24(30-18-31-25)33-11-13-34(14-12-33)26(36)17-35-23(20-5-3-2-4-6-20)15-22(32-35)19-7-9-21(10-8-19)38-27(28)29;28-27(29)36-22-11-9-20(10-12-22)23-18-24(21-6-2-1-3-7-21)34(31-23)19-26(35)33-16-14-32(15-17-33)25-8-4-5-13-30-25;1-20-17-22(9-10-25(20)35-2)23-18-24(21-7-4-3-5-8-21)33(30-23)19-26(34)31-13-15-32(16-14-31)27-28-11-6-12-29-27/h2-10,15-16,18,27H,11-14,17H2,1H3;1-13,18,27H,14-17,19H2;3-12,17-18H,13-16,19H2,1-2H3.
What are the key properties of 2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 1478.63 g/mol, XLogP of 12.20, 21 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 157326077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).