1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-phenylpiperazin-2-one;2-(3,5-diphenylpyrazol-1-yl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone;2-(3,5-diphenylpyrazol-1-yl)-1-(4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone

C109H98N16O7S — CID 162083340

IUPAC1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-phenylpiperazin-2-one;2-(3,5-diphenylpyrazol-1-yl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone;2-(3,5-diphenylpyrazol-1-yl)-1-(4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)Cn1nc(-c3ccccc3)cc1-c1ccccc1)CC2.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCN(c2ccccc2)C(=O)C1.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCc2nc(-c3ccccc3)ncc2C1.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCc2ncsc2CC1
InChIInChI=1S/C30H25N5O.C28H27N3O3.C27H24N4O2.C24H22N4OS/c36-29(34-17-16-26-25(20-34)19-31-30(32-26)24-14-8-3-9-15-24)21-35-28(23-12-6-2-7-13-23)18-27(33-35)22-10-4-1-5-11-22;1-33-26-15-22-13-14-30(18-23(22)16-27(26)34-2)28(32)19-31-25(21-11-7-4-8-12-21)17-24(29-31)20-9-5-3-6-10-20;32-26(29-16-17-30(27(33)19-29)23-14-8-3-9-15-23)20-31-25(22-12-6-2-7-13-22)18-24(28-31)21-10-4-1-5-11-21;29-24(27-13-11-20-23(12-14-27)30-17-25-20)16-28-22(19-9-5-2-6-10-19)15-21(26-28)18-7-3-1-4-8-18/h1-15,18-19H,16-17,20-21H2;3-12,15-17H,13-14,18-19H2,1-2H3;1-15,18H,16-17,19-20H2;1-10,15,17H,11-14,16H2
InChIKeyZCPYMZVBDIGRRX-UHFFFAOYSA-N
MW1776.15 g/mol
LogP18.47
Rot. Bonds20

About 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-phenylpiperazin-2-one;2-(3,5-diphenylpyrazol-1-yl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone;2-(3,5-diphenylpyrazol-1-yl)-1-(4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone

1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-phenylpiperazin-2-one;2-(3,5-diphenylpyrazol-1-yl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone;2-(3,5-diphenylpyrazol-1-yl)-1-(4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone (PubChem CID 162083340) has the molecular formula C109H98N16O7S and a molecular weight of 1776.15 g/mol. Its IUPAC name is 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-phenylpiperazin-2-one;2-(3,5-diphenylpyrazol-1-yl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone;2-(3,5-diphenylpyrazol-1-yl)-1-(4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone.

Molecular Properties

Compound Name1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-phenylpiperazin-2-one;2-(3,5-diphenylpyrazol-1-yl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone;2-(3,5-diphenylpyrazol-1-yl)-1-(4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone
PubChem CID162083340
Molecular FormulaC109H98N16O7S
Molecular Weight1776.15 g/mol
Exact Mass1774.75
IUPAC Name1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-phenylpiperazin-2-one;2-(3,5-diphenylpyrazol-1-yl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone;2-(3,5-diphenylpyrazol-1-yl)-1-(4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)Cn1nc(-c3ccccc3)cc1-c1ccccc1)CC2.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCN(c2ccccc2)C(=O)C1.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCc2nc(-c3ccccc3)ncc2C1.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCc2ncsc2CC1
InChIInChI=1S/C30H25N5O.C28H27N3O3.C27H24N4O2.C24H22N4OS/c36-29(34-17-16-26-25(20-34)19-31-30(32-26)24-14-8-3-9-15-24)21-35-28(23-12-6-2-7-13-23)18-27(33-35)22-10-4-1-5-11-22;1-33-26-15-22-13-14-30(18-23(22)16-27(26)34-2)28(32)19-31-25(21-11-7-4-8-12-21)17-24(29-31)20-9-5-3-6-10-20;32-26(29-16-17-30(27(33)19-29)23-14-8-3-9-15-23)20-31-25(22-12-6-2-7-13-22)18-24(28-31)21-10-4-1-5-11-21;29-24(27-13-11-20-23(12-14-27)30-17-25-20)16-28-22(19-9-5-2-6-10-19)15-21(26-28)18-7-3-1-4-8-18/h1-15,18-19H,16-17,20-21H2;3-12,15-17H,13-14,18-19H2,1-2H3;1-15,18H,16-17,19-20H2;1-10,15,17H,11-14,16H2
InChIKeyZCPYMZVBDIGRRX-UHFFFAOYSA-N
XLogP18.47
TPSA229.96 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001776.15
LogP ≤ 518.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-phenylpiperazin-2-one;2-(3,5-diphenylpyrazol-1-yl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone;2-(3,5-diphenylpyrazol-1-yl)-1-(4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-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

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-phenylpiperazin-2-one;2-(3,5-diphenylpyrazol-1-yl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone;2-(3,5-diphenylpyrazol-1-yl)-1-(4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone?
The IUPAC name of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-phenylpiperazin-2-one;2-(3,5-diphenylpyrazol-1-yl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone;2-(3,5-diphenylpyrazol-1-yl)-1-(4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone (CID 162083340) is 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-phenylpiperazin-2-one;2-(3,5-diphenylpyrazol-1-yl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone;2-(3,5-diphenylpyrazol-1-yl)-1-(4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone.
What is the SMILES notation for 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-phenylpiperazin-2-one;2-(3,5-diphenylpyrazol-1-yl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone;2-(3,5-diphenylpyrazol-1-yl)-1-(4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone?
The canonical SMILES for 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-phenylpiperazin-2-one;2-(3,5-diphenylpyrazol-1-yl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone;2-(3,5-diphenylpyrazol-1-yl)-1-(4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone is COc1cc2c(cc1OC)CN(C(=O)Cn1nc(-c3ccccc3)cc1-c1ccccc1)CC2.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCN(c2ccccc2)C(=O)C1.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCc2nc(-c3ccccc3)ncc2C1.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCc2ncsc2CC1.
What is the InChIKey of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-phenylpiperazin-2-one;2-(3,5-diphenylpyrazol-1-yl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone;2-(3,5-diphenylpyrazol-1-yl)-1-(4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone?
The InChIKey is ZCPYMZVBDIGRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5O.C28H27N3O3.C27H24N4O2.C24H22N4OS/c36-29(34-17-16-26-25(20-34)19-31-30(32-26)24-14-8-3-9-15-24)21-35-28(23-12-6-2-7-13-23)18-27(33-35)22-10-4-1-5-11-22;1-33-26-15-22-13-14-30(18-23(22)16-27(26)34-2)28(32)19-31-25(21-11-7-4-8-12-21)17-24(29-31)20-9-5-3-6-10-20;32-26(29-16-17-30(27(33)19-29)23-14-8-3-9-15-23)20-31-25(22-12-6-2-7-13-22)18-24(28-31)21-10-4-1-5-11-21;29-24(27-13-11-20-23(12-14-27)30-17-25-20)16-28-22(19-9-5-2-6-10-19)15-21(26-28)18-7-3-1-4-8-18/h1-15,18-19H,16-17,20-21H2;3-12,15-17H,13-14,18-19H2,1-2H3;1-15,18H,16-17,19-20H2;1-10,15,17H,11-14,16H2.
What are the key properties of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-phenylpiperazin-2-one;2-(3,5-diphenylpyrazol-1-yl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone;2-(3,5-diphenylpyrazol-1-yl)-1-(4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone?
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-phenylpiperazin-2-one;2-(3,5-diphenylpyrazol-1-yl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone;2-(3,5-diphenylpyrazol-1-yl)-1-(4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone has a molecular weight of 1776.15 g/mol, XLogP of 18.47, 20 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-phenylpiperazin-2-one;2-(3,5-diphenylpyrazol-1-yl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone;2-(3,5-diphenylpyrazol-1-yl)-1-(4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone is sourced from PubChem (CID 162083340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).