4-(1-benzylpiperidin-4-yl)oxy-2-phenyl-5-[4-(3-phenylpropyl)piperazin-1-yl]pyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-(furan-3-ylmethyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-4-propan-2-yloxypyridazin-3-one

C145H181N23O13 — CID 159076802

IUPAC4-(1-benzylpiperidin-4-yl)oxy-2-phenyl-5-[4-(3-phenylpropyl)piperazin-1-yl]pyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-(furan-3-ylmethyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-4-propan-2-yloxypyridazin-3-one
SMILESCCOc1ccc(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3OCCC3CCCCC3)CC2)cc1.CCn1cc(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3OC(C)C)CC2)cn1.O=c1c(OC2CCN(Cc3ccccc3)CC2)c(N2CCN(CCCc3ccccc3)CC2)cnn1-c1ccccc1.O=c1c(OCCC2CCCCC2)c(N2CCN(Cc3ccc(O)cc3)CC2)cnn1-c1ccccc1.O=c1c(OCCC2CCCCC2)c(N2CCN(Cc3ccoc3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C35H41N5O2.C31H40N4O3.C29H36N4O3.C27H34N4O3.C23H30N6O2/c41-35-34(42-32-18-21-38(22-19-32)28-30-13-6-2-7-14-30)33(27-36-40(35)31-16-8-3-9-17-31)39-25-23-37(24-26-39)20-10-15-29-11-4-1-5-12-29;1-2-37-28-15-13-26(14-16-28)24-33-18-20-34(21-19-33)29-23-32-35(27-11-7-4-8-12-27)31(36)30(29)38-22-17-25-9-5-3-6-10-25;34-26-13-11-24(12-14-26)22-31-16-18-32(19-17-31)27-21-30-33(25-9-5-2-6-10-25)29(35)28(27)36-20-15-23-7-3-1-4-8-23;32-27-26(34-18-12-22-7-3-1-4-8-22)25(19-28-31(27)24-9-5-2-6-10-24)30-15-13-29(14-16-30)20-23-11-17-33-21-23;1-4-28-17-19(14-24-28)16-26-10-12-27(13-11-26)21-15-25-29(20-8-6-5-7-9-20)23(30)22(21)31-18(2)3/h1-9,11-14,16-17,27,32H,10,15,18-26,28H2;4,7-8,11-16,23,25H,2-3,5-6,9-10,17-22,24H2,1H3;2,5-6,9-14,21,23,34H,1,3-4,7-8,15-20,22H2;2,5-6,9-11,17,19,21-22H,1,3-4,7-8,12-16,18,20H2;5-9,14-15,17-18H,4,10-13,16H2,1-3H3
InChIKeyKAIUCJYZJINISJ-UHFFFAOYSA-N
MW2454.19 g/mol
LogP22.00
Rot. Bonds43

About 4-(1-benzylpiperidin-4-yl)oxy-2-phenyl-5-[4-(3-phenylpropyl)piperazin-1-yl]pyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-(furan-3-ylmethyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-4-propan-2-yloxypyridazin-3-one

4-(1-benzylpiperidin-4-yl)oxy-2-phenyl-5-[4-(3-phenylpropyl)piperazin-1-yl]pyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-(furan-3-ylmethyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-4-propan-2-yloxypyridazin-3-one (PubChem CID 159076802) has the molecular formula C145H181N23O13 and a molecular weight of 2454.19 g/mol. Its IUPAC name is 4-(1-benzylpiperidin-4-yl)oxy-2-phenyl-5-[4-(3-phenylpropyl)piperazin-1-yl]pyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-(furan-3-ylmethyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-4-propan-2-yloxypyridazin-3-one.

Molecular Properties

Compound Name4-(1-benzylpiperidin-4-yl)oxy-2-phenyl-5-[4-(3-phenylpropyl)piperazin-1-yl]pyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-(furan-3-ylmethyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-4-propan-2-yloxypyridazin-3-one
PubChem CID159076802
Molecular FormulaC145H181N23O13
Molecular Weight2454.19 g/mol
Exact Mass2452.42
IUPAC Name4-(1-benzylpiperidin-4-yl)oxy-2-phenyl-5-[4-(3-phenylpropyl)piperazin-1-yl]pyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-(furan-3-ylmethyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-4-propan-2-yloxypyridazin-3-one
SMILESCCOc1ccc(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3OCCC3CCCCC3)CC2)cc1.CCn1cc(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3OC(C)C)CC2)cn1.O=c1c(OC2CCN(Cc3ccccc3)CC2)c(N2CCN(CCCc3ccccc3)CC2)cnn1-c1ccccc1.O=c1c(OCCC2CCCCC2)c(N2CCN(Cc3ccc(O)cc3)CC2)cnn1-c1ccccc1.O=c1c(OCCC2CCCCC2)c(N2CCN(Cc3ccoc3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C35H41N5O2.C31H40N4O3.C29H36N4O3.C27H34N4O3.C23H30N6O2/c41-35-34(42-32-18-21-38(22-19-32)28-30-13-6-2-7-14-30)33(27-36-40(35)31-16-8-3-9-17-31)39-25-23-37(24-26-39)20-10-15-29-11-4-1-5-12-29;1-2-37-28-15-13-26(14-16-28)24-33-18-20-34(21-19-33)29-23-32-35(27-11-7-4-8-12-27)31(36)30(29)38-22-17-25-9-5-3-6-10-25;34-26-13-11-24(12-14-26)22-31-16-18-32(19-17-31)27-21-30-33(25-9-5-2-6-10-25)29(35)28(27)36-20-15-23-7-3-1-4-8-23;32-27-26(34-18-12-22-7-3-1-4-8-22)25(19-28-31(27)24-9-5-2-6-10-24)30-15-13-29(14-16-30)20-23-11-17-33-21-23;1-4-28-17-19(14-24-28)16-26-10-12-27(13-11-26)21-15-25-29(20-8-6-5-7-9-20)23(30)22(21)31-18(2)3/h1-9,11-14,16-17,27,32H,10,15,18-26,28H2;4,7-8,11-16,23,25H,2-3,5-6,9-10,17-22,24H2,1H3;2,5-6,9-14,21,23,34H,1,3-4,7-8,15-20,22H2;2,5-6,9-11,17,19,21-22H,1,3-4,7-8,12-16,18,20H2;5-9,14-15,17-18H,4,10-13,16H2,1-3H3
InChIKeyKAIUCJYZJINISJ-UHFFFAOYSA-N
XLogP22.00
TPSA316.66 Ų
H-Bond Donors1
H-Bond Acceptors36
Rotatable Bonds43
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002454.19
LogP ≤ 522.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1036

Analyze 4-(1-benzylpiperidin-4-yl)oxy-2-phenyl-5-[4-(3-phenylpropyl)piperazin-1-yl]pyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-(furan-3-ylmethyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-4-propan-2-yloxypyridazin-3-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

5-[4-(furan-3-ylmethyl)piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one
CID 25015274
4-(1-benzylpiperidin-4-yl)oxy-5-[4-[(4-methylcyclohex-2-en-1-yl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 25014606
5-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one
CID 25015563
4-(1-benzylpiperidin-4-yl)oxy-5-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;5-[4-[[1-(4-chlorophenyl)pyrrol-2-yl]methyl]piperazin-1-yl]-4-(2-cyclohexylethoxy)-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(3,5-dimethyl-4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2,3-dihydro-1H-inden-2-yloxy)-2-phenyl-5-[4-[(4-pyridin-2-ylphenyl)methyl]piperazin-1-yl]pyridazin-3-one;4-[(1-methylpiperidin-2-yl)methoxy]-2-phenyl-5-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-one
CID 160511231
5-[4-[(2-chloro-3-methylphenyl)methyl]piperazin-1-yl]-2-phenyl-4-phenylmethoxypyridazin-3-one
CID 70881027
4-cyclopentyloxy-2-phenyl-5-[4-(pyridin-3-ylmethylsulfonyl)piperazin-1-yl]pyridazin-3-one
CID 53318377
1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine
CID 763918
1-[4-[5-[(1-benzylpiperidin-4-yl)amino]-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]-2-(2-tert-butyl-5-methoxyphenyl)ethane-1,2-dione
CID 59372607
5-[4-[(2-ethyl-6-methylphenyl)methyl]piperazin-1-yl]-4-(2-methoxyethoxy)-2-phenylpyridazin-3-one
CID 145479481
5-[4-[(4-amino-3-methylphenyl)methylsulfanyl]piperazin-1-yl]-4-cyclopentyloxy-2-phenylpyridazin-3-one
CID 118351162
1-(3-cyclohexylpropyl)-4-ethoxybenzene
CID 57232789
N-[(1S)-1-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 42237070

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpiperidin-4-yl)oxy-2-phenyl-5-[4-(3-phenylpropyl)piperazin-1-yl]pyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-(furan-3-ylmethyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-4-propan-2-yloxypyridazin-3-one?
The IUPAC name of 4-(1-benzylpiperidin-4-yl)oxy-2-phenyl-5-[4-(3-phenylpropyl)piperazin-1-yl]pyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-(furan-3-ylmethyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-4-propan-2-yloxypyridazin-3-one (CID 159076802) is 4-(1-benzylpiperidin-4-yl)oxy-2-phenyl-5-[4-(3-phenylpropyl)piperazin-1-yl]pyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-(furan-3-ylmethyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-4-propan-2-yloxypyridazin-3-one.
What is the SMILES notation for 4-(1-benzylpiperidin-4-yl)oxy-2-phenyl-5-[4-(3-phenylpropyl)piperazin-1-yl]pyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-(furan-3-ylmethyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-4-propan-2-yloxypyridazin-3-one?
The canonical SMILES for 4-(1-benzylpiperidin-4-yl)oxy-2-phenyl-5-[4-(3-phenylpropyl)piperazin-1-yl]pyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-(furan-3-ylmethyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-4-propan-2-yloxypyridazin-3-one is CCOc1ccc(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3OCCC3CCCCC3)CC2)cc1.CCn1cc(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3OC(C)C)CC2)cn1.O=c1c(OC2CCN(Cc3ccccc3)CC2)c(N2CCN(CCCc3ccccc3)CC2)cnn1-c1ccccc1.O=c1c(OCCC2CCCCC2)c(N2CCN(Cc3ccc(O)cc3)CC2)cnn1-c1ccccc1.O=c1c(OCCC2CCCCC2)c(N2CCN(Cc3ccoc3)CC2)cnn1-c1ccccc1.
What is the InChIKey of 4-(1-benzylpiperidin-4-yl)oxy-2-phenyl-5-[4-(3-phenylpropyl)piperazin-1-yl]pyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-(furan-3-ylmethyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-4-propan-2-yloxypyridazin-3-one?
The InChIKey is KAIUCJYZJINISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N5O2.C31H40N4O3.C29H36N4O3.C27H34N4O3.C23H30N6O2/c41-35-34(42-32-18-21-38(22-19-32)28-30-13-6-2-7-14-30)33(27-36-40(35)31-16-8-3-9-17-31)39-25-23-37(24-26-39)20-10-15-29-11-4-1-5-12-29;1-2-37-28-15-13-26(14-16-28)24-33-18-20-34(21-19-33)29-23-32-35(27-11-7-4-8-12-27)31(36)30(29)38-22-17-25-9-5-3-6-10-25;34-26-13-11-24(12-14-26)22-31-16-18-32(19-17-31)27-21-30-33(25-9-5-2-6-10-25)29(35)28(27)36-20-15-23-7-3-1-4-8-23;32-27-26(34-18-12-22-7-3-1-4-8-22)25(19-28-31(27)24-9-5-2-6-10-24)30-15-13-29(14-16-30)20-23-11-17-33-21-23;1-4-28-17-19(14-24-28)16-26-10-12-27(13-11-26)21-15-25-29(20-8-6-5-7-9-20)23(30)22(21)31-18(2)3/h1-9,11-14,16-17,27,32H,10,15,18-26,28H2;4,7-8,11-16,23,25H,2-3,5-6,9-10,17-22,24H2,1H3;2,5-6,9-14,21,23,34H,1,3-4,7-8,15-20,22H2;2,5-6,9-11,17,19,21-22H,1,3-4,7-8,12-16,18,20H2;5-9,14-15,17-18H,4,10-13,16H2,1-3H3.
What are the key properties of 4-(1-benzylpiperidin-4-yl)oxy-2-phenyl-5-[4-(3-phenylpropyl)piperazin-1-yl]pyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-(furan-3-ylmethyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-4-propan-2-yloxypyridazin-3-one?
4-(1-benzylpiperidin-4-yl)oxy-2-phenyl-5-[4-(3-phenylpropyl)piperazin-1-yl]pyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-(furan-3-ylmethyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-4-propan-2-yloxypyridazin-3-one has a molecular weight of 2454.19 g/mol, XLogP of 22.00, 43 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpiperidin-4-yl)oxy-2-phenyl-5-[4-(3-phenylpropyl)piperazin-1-yl]pyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-(furan-3-ylmethyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-4-propan-2-yloxypyridazin-3-one is sourced from PubChem (CID 159076802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).