8-cyclopentyl-2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one

C98H132N22O18S4 — CID 157279735

IUPAC8-cyclopentyl-2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one
SMILESCCCc1nc(C)n2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3OCC)nc12.CCOc1ccc(S(=O)(=O)N2CCC(O)CC2)cc1-c1nc2c(C3CCCC3)nc(CC)n2c(=O)[nH]1.CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2c(C3CCCC3)nc(CC)n2c(=O)[nH]1.CCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(C3CCCC3)nc(CC)n2c(=O)[nH]1
InChIInChI=1S/C26H36N6O4S.C25H34N6O4S.C25H33N5O5S.C22H29N5O5S/c1-4-22-27-23(18-9-7-8-10-18)25-28-24(29-26(33)32(22)25)20-17-19(11-12-21(20)36-6-3)37(34,35)31-15-13-30(5-2)14-16-31;1-4-21-26-22(17-8-6-7-9-17)24-27-23(28-25(32)31(21)24)19-16-18(10-11-20(19)35-5-2)36(33,34)30-14-12-29(3)13-15-30;1-3-21-26-22(16-7-5-6-8-16)24-27-23(28-25(32)30(21)24)19-15-18(9-10-20(19)35-4-2)36(33,34)29-13-11-17(31)12-14-29;1-4-6-18-21-24-20(25-22(29)27(21)14(3)23-18)17-13-16(7-8-19(17)32-5-2)33(30,31)26-11-9-15(28)10-12-26/h11-12,17-18H,4-10,13-16H2,1-3H3,(H,28,29,33);10-11,16-17H,4-9,12-15H2,1-3H3,(H,27,28,32);9-10,15-17,31H,3-8,11-14H2,1-2H3,(H,27,28,32);7-8,13,15,28H,4-6,9-12H2,1-3H3,(H,24,25,29)
InChIKeyAZNGOPRASVVRBC-UHFFFAOYSA-N
MW2034.54 g/mol
LogP10.41
Rot. Bonds29

About 8-cyclopentyl-2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one

8-cyclopentyl-2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one (PubChem CID 157279735) has the molecular formula C98H132N22O18S4 and a molecular weight of 2034.54 g/mol. Its IUPAC name is 8-cyclopentyl-2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name8-cyclopentyl-2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one
PubChem CID157279735
Molecular FormulaC98H132N22O18S4
Molecular Weight2034.54 g/mol
Exact Mass2032.90
IUPAC Name8-cyclopentyl-2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one
SMILESCCCc1nc(C)n2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3OCC)nc12.CCOc1ccc(S(=O)(=O)N2CCC(O)CC2)cc1-c1nc2c(C3CCCC3)nc(CC)n2c(=O)[nH]1.CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2c(C3CCCC3)nc(CC)n2c(=O)[nH]1.CCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(C3CCCC3)nc(CC)n2c(=O)[nH]1
InChIInChI=1S/C26H36N6O4S.C25H34N6O4S.C25H33N5O5S.C22H29N5O5S/c1-4-22-27-23(18-9-7-8-10-18)25-28-24(29-26(33)32(22)25)20-17-19(11-12-21(20)36-6-3)37(34,35)31-15-13-30(5-2)14-16-31;1-4-21-26-22(17-8-6-7-9-17)24-27-23(28-25(32)31(21)24)19-16-18(10-11-20(19)35-5-2)36(33,34)30-14-12-29(3)13-15-30;1-3-21-26-22(16-7-5-6-8-16)24-27-23(28-25(32)30(21)24)19-15-18(9-10-20(19)35-4-2)36(33,34)29-13-11-17(31)12-14-29;1-4-6-18-21-24-20(25-22(29)27(21)14(3)23-18)17-13-16(7-8-19(17)32-5-2)33(30,31)26-11-9-15(28)10-12-26/h11-12,17-18H,4-10,13-16H2,1-3H3,(H,28,29,33);10-11,16-17H,4-9,12-15H2,1-3H3,(H,27,28,32);9-10,15-17,31H,3-8,11-14H2,1-2H3,(H,27,28,32);7-8,13,15,28H,4-6,9-12H2,1-3H3,(H,24,25,29)
InChIKeyAZNGOPRASVVRBC-UHFFFAOYSA-N
XLogP10.41
TPSA485.58 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds29
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002034.54
LogP ≤ 510.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Analyze 8-cyclopentyl-2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one 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

8-cyclopentyl-2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one
CID 135544363
2-[2-ethoxy-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one
CID 135730253
2-[2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one
CID 142073064
3-(8-cyclopentyl-6-methyl-4-oxo-3H-imidazo[1,5-a][1,3,5]triazin-2-yl)-4-ethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 135730228
3-(8-cyclopentyl-6-methyl-4-oxo-3H-imidazo[1,5-a][1,3,5]triazin-2-yl)-4-ethoxy-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 135730236
N-benzyl-4-ethoxy-N-(2-hydroxyethyl)-3-(6-methyl-4-oxo-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-2-yl)benzenesulfonamide
CID 135730274
5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrobromide
CID 135545922
5-[2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]-1-ethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135738539
butanedioic acid;5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135545942
5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-6-oxido-3-propylpyrazolo[4,5-d]pyrimidin-7-one
CID 87356709
2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3H-quinazolin-4-one
CID 135710760
2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-6-methyl-3H-purino[9,8-a]pyridin-4-one
CID 135964421

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one?
The IUPAC name of 8-cyclopentyl-2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one (CID 157279735) is 8-cyclopentyl-2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one.
What is the SMILES notation for 8-cyclopentyl-2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one?
The canonical SMILES for 8-cyclopentyl-2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one is CCCc1nc(C)n2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3OCC)nc12.CCOc1ccc(S(=O)(=O)N2CCC(O)CC2)cc1-c1nc2c(C3CCCC3)nc(CC)n2c(=O)[nH]1.CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2c(C3CCCC3)nc(CC)n2c(=O)[nH]1.CCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(C3CCCC3)nc(CC)n2c(=O)[nH]1.
What is the InChIKey of 8-cyclopentyl-2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one?
The InChIKey is AZNGOPRASVVRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O4S.C25H34N6O4S.C25H33N5O5S.C22H29N5O5S/c1-4-22-27-23(18-9-7-8-10-18)25-28-24(29-26(33)32(22)25)20-17-19(11-12-21(20)36-6-3)37(34,35)31-15-13-30(5-2)14-16-31;1-4-21-26-22(17-8-6-7-9-17)24-27-23(28-25(32)31(21)24)19-16-18(10-11-20(19)35-5-2)36(33,34)30-14-12-29(3)13-15-30;1-3-21-26-22(16-7-5-6-8-16)24-27-23(28-25(32)30(21)24)19-15-18(9-10-20(19)35-4-2)36(33,34)29-13-11-17(31)12-14-29;1-4-6-18-21-24-20(25-22(29)27(21)14(3)23-18)17-13-16(7-8-19(17)32-5-2)33(30,31)26-11-9-15(28)10-12-26/h11-12,17-18H,4-10,13-16H2,1-3H3,(H,28,29,33);10-11,16-17H,4-9,12-15H2,1-3H3,(H,27,28,32);9-10,15-17,31H,3-8,11-14H2,1-2H3,(H,27,28,32);7-8,13,15,28H,4-6,9-12H2,1-3H3,(H,24,25,29).
What are the key properties of 8-cyclopentyl-2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one?
8-cyclopentyl-2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one has a molecular weight of 2034.54 g/mol, XLogP of 10.41, 29 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one is sourced from PubChem (CID 157279735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).