1-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[5-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-ethylurea;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone

C102H92ClF3N18O5S2 — CID 162184927

IUPAC1-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[5-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-ethylurea;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone
SMILESCCNC(=O)Nc1nc2c(s1)CN(C(=O)Cn1nc(-c3ccccc3)cc1-c1ccccc1)CC2.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCN(c2nnc(C(F)(F)F)s2)CC1.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCc2c(Cl)cccc2C1.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCc2ccccc2C1
InChIInChI=1S/C26H22ClN3O.C26H26N6O2S.C26H23N3O.C24H21F3N6OS/c27-23-13-7-12-21-17-29(15-14-22(21)23)26(31)18-30-25(20-10-5-2-6-11-20)16-24(28-30)19-8-3-1-4-9-19;1-2-27-25(34)29-26-28-20-13-14-31(16-23(20)35-26)24(33)17-32-22(19-11-7-4-8-12-19)15-21(30-32)18-9-5-3-6-10-18;30-26(28-16-15-20-9-7-8-14-23(20)18-28)19-29-25(22-12-5-2-6-13-22)17-24(27-29)21-10-3-1-4-11-21;25-24(26,27)22-28-29-23(35-22)32-13-11-31(12-14-32)21(34)16-33-20(18-9-5-2-6-10-18)15-19(30-33)17-7-3-1-4-8-17/h1-13,16H,14-15,17-18H2;3-12,15H,2,13-14,16-17H2,1H3,(H2,27,28,29,34);1-14,17H,15-16,18-19H2;1-10,15H,11-14,16H2
InChIKeyZPNNJRTVERGMOI-UHFFFAOYSA-N
MW1806.56 g/mol
LogP19.09
Rot. Bonds19

About 1-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[5-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-ethylurea;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone

1-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[5-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-ethylurea;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone (PubChem CID 162184927) has the molecular formula C102H92ClF3N18O5S2 and a molecular weight of 1806.56 g/mol. Its IUPAC name is 1-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[5-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-ethylurea;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[5-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-ethylurea;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone
PubChem CID162184927
Molecular FormulaC102H92ClF3N18O5S2
Molecular Weight1806.56 g/mol
Exact Mass1804.66
IUPAC Name1-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[5-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-ethylurea;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone
SMILESCCNC(=O)Nc1nc2c(s1)CN(C(=O)Cn1nc(-c3ccccc3)cc1-c1ccccc1)CC2.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCN(c2nnc(C(F)(F)F)s2)CC1.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCc2c(Cl)cccc2C1.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCc2ccccc2C1
InChIInChI=1S/C26H22ClN3O.C26H26N6O2S.C26H23N3O.C24H21F3N6OS/c27-23-13-7-12-21-17-29(15-14-22(21)23)26(31)18-30-25(20-10-5-2-6-11-20)16-24(28-30)19-8-3-1-4-9-19;1-2-27-25(34)29-26-28-20-13-14-31(16-23(20)35-26)24(33)17-32-22(19-11-7-4-8-12-19)15-21(30-32)18-9-5-3-6-10-18;30-26(28-16-15-20-9-7-8-14-23(20)18-28)19-29-25(22-12-5-2-6-13-22)17-24(27-29)21-10-3-1-4-11-21;25-24(26,27)22-28-29-23(35-22)32-13-11-31(12-14-32)21(34)16-33-20(18-9-5-2-6-10-18)15-19(30-33)17-7-3-1-4-8-17/h1-13,16H,14-15,17-18H2;3-12,15H,2,13-14,16-17H2,1H3,(H2,27,28,29,34);1-14,17H,15-16,18-19H2;1-10,15H,11-14,16H2
InChIKeyZPNNJRTVERGMOI-UHFFFAOYSA-N
XLogP19.09
TPSA235.56 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001806.56
LogP ≤ 519.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze 1-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[5-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-ethylurea;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[5-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-ethylurea;1-[5-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea;1-[5-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(2-fluorophenyl)piperazin-2-one
CID 160695639
N-[4-(3-chloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)acetamide;2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)-N-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide;tris(2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide)
CID 161205046

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[5-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-ethylurea;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[5-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-ethylurea;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone (CID 162184927) is 1-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[5-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-ethylurea;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[5-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-ethylurea;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[5-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-ethylurea;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone is CCNC(=O)Nc1nc2c(s1)CN(C(=O)Cn1nc(-c3ccccc3)cc1-c1ccccc1)CC2.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCN(c2nnc(C(F)(F)F)s2)CC1.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCc2c(Cl)cccc2C1.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCc2ccccc2C1.
What is the InChIKey of 1-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[5-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-ethylurea;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone?
The InChIKey is ZPNNJRTVERGMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O.C26H26N6O2S.C26H23N3O.C24H21F3N6OS/c27-23-13-7-12-21-17-29(15-14-22(21)23)26(31)18-30-25(20-10-5-2-6-11-20)16-24(28-30)19-8-3-1-4-9-19;1-2-27-25(34)29-26-28-20-13-14-31(16-23(20)35-26)24(33)17-32-22(19-11-7-4-8-12-19)15-21(30-32)18-9-5-3-6-10-18;30-26(28-16-15-20-9-7-8-14-23(20)18-28)19-29-25(22-12-5-2-6-13-22)17-24(27-29)21-10-3-1-4-11-21;25-24(26,27)22-28-29-23(35-22)32-13-11-31(12-14-32)21(34)16-33-20(18-9-5-2-6-10-18)15-19(30-33)17-7-3-1-4-8-17/h1-13,16H,14-15,17-18H2;3-12,15H,2,13-14,16-17H2,1H3,(H2,27,28,29,34);1-14,17H,15-16,18-19H2;1-10,15H,11-14,16H2.
What are the key properties of 1-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[5-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-ethylurea;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone?
1-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[5-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-ethylurea;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone has a molecular weight of 1806.56 g/mol, XLogP of 19.09, 19 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[5-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-ethylurea;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 162184927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).