4-[5-(benzylamino)-6-oxo-1-phenylpyridazin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide;4-[5-[(4-benzylcyclohexyl)amino]-6-oxo-1-phenylpyridazin-4-yl]-N-(5-chloro-2,4-dimethoxyphenyl)piperazine-1-carboxamide;N-benzyl-4-[5-[3-(dimethylamino)propylamino]-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carboxamide;4-[5-[2-(diethylamino)ethylamino]-6-oxo-1-phenylpyridazin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;ethyl 1-[5-[4-(tert-butylcarbamoyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate

C148H180ClF3N32O16 — CID 160728023

IUPAC4-[5-(benzylamino)-6-oxo-1-phenylpyridazin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide;4-[5-[(4-benzylcyclohexyl)amino]-6-oxo-1-phenylpyridazin-4-yl]-N-(5-chloro-2,4-dimethoxyphenyl)piperazine-1-carboxamide;N-benzyl-4-[5-[3-(dimethylamino)propylamino]-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carboxamide;4-[5-[2-(diethylamino)ethylamino]-6-oxo-1-phenylpyridazin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;ethyl 1-[5-[4-(tert-butylcarbamoyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate
SMILESCCN(CC)CCNc1c(N2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cnn(-c2ccccc2)c1=O.CCOC(=O)C1CCCN(c2c(N3CCN(C(=O)NC(C)(C)C)CC3)cnn(-c3ccccc3)c2=O)C1.CN(C)CCCNc1c(N2CCN(C(=O)NCc3ccccc3)CC2)cnn(-c2ccccc2)c1=O.COc1cc(OC)c(NC(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3NC3CCC(Cc4ccccc4)CC3)CC2)cc1Cl.COc1ccc(OC)c(NC(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3NCc3ccccc3)CC2)c1
InChIInChI=1S/C36H41ClN6O4.C30H32N6O4.C28H34F3N7O2.C27H35N7O2.C27H38N6O4/c1-46-32-23-33(47-2)30(22-29(32)37)40-36(45)42-19-17-41(18-20-42)31-24-38-43(28-11-7-4-8-12-28)35(44)34(31)39-27-15-13-26(14-16-27)21-25-9-5-3-6-10-25;1-39-24-13-14-27(40-2)25(19-24)33-30(38)35-17-15-34(16-18-35)26-21-32-36(23-11-7-4-8-12-23)29(37)28(26)31-20-22-9-5-3-6-10-22;1-3-35(4-2)15-14-32-25-24(20-33-38(26(25)39)23-8-6-5-7-9-23)36-16-18-37(19-17-36)27(40)34-22-12-10-21(11-13-22)28(29,30)31;1-31(2)15-9-14-28-25-24(21-30-34(26(25)35)23-12-7-4-8-13-23)32-16-18-33(19-17-32)27(36)29-20-22-10-5-3-6-11-22;1-5-37-25(35)20-10-9-13-32(19-20)23-22(18-28-33(24(23)34)21-11-7-6-8-12-21)30-14-16-31(17-15-30)26(36)29-27(2,3)4/h3-12,22-24,26-27,39H,13-21H2,1-2H3,(H,40,45);3-14,19,21,31H,15-18,20H2,1-2H3,(H,33,38);5-13,20,32H,3-4,14-19H2,1-2H3,(H,34,40);3-8,10-13,21,28H,9,14-20H2,1-2H3,(H,29,36);6-8,11-12,18,20H,5,9-10,13-17,19H2,1-4H3,(H,29,36)
InChIKeyRTYUESZQKRRREB-UHFFFAOYSA-N
MW2755.72 g/mol
LogP20.32
Rot. Bonds40

About 4-[5-(benzylamino)-6-oxo-1-phenylpyridazin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide;4-[5-[(4-benzylcyclohexyl)amino]-6-oxo-1-phenylpyridazin-4-yl]-N-(5-chloro-2,4-dimethoxyphenyl)piperazine-1-carboxamide;N-benzyl-4-[5-[3-(dimethylamino)propylamino]-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carboxamide;4-[5-[2-(diethylamino)ethylamino]-6-oxo-1-phenylpyridazin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;ethyl 1-[5-[4-(tert-butylcarbamoyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate

4-[5-(benzylamino)-6-oxo-1-phenylpyridazin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide;4-[5-[(4-benzylcyclohexyl)amino]-6-oxo-1-phenylpyridazin-4-yl]-N-(5-chloro-2,4-dimethoxyphenyl)piperazine-1-carboxamide;N-benzyl-4-[5-[3-(dimethylamino)propylamino]-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carboxamide;4-[5-[2-(diethylamino)ethylamino]-6-oxo-1-phenylpyridazin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;ethyl 1-[5-[4-(tert-butylcarbamoyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate (PubChem CID 160728023) has the molecular formula C148H180ClF3N32O16 and a molecular weight of 2755.72 g/mol. Its IUPAC name is 4-[5-(benzylamino)-6-oxo-1-phenylpyridazin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide;4-[5-[(4-benzylcyclohexyl)amino]-6-oxo-1-phenylpyridazin-4-yl]-N-(5-chloro-2,4-dimethoxyphenyl)piperazine-1-carboxamide;N-benzyl-4-[5-[3-(dimethylamino)propylamino]-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carboxamide;4-[5-[2-(diethylamino)ethylamino]-6-oxo-1-phenylpyridazin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;ethyl 1-[5-[4-(tert-butylcarbamoyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate.

Molecular Properties

Compound Name4-[5-(benzylamino)-6-oxo-1-phenylpyridazin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide;4-[5-[(4-benzylcyclohexyl)amino]-6-oxo-1-phenylpyridazin-4-yl]-N-(5-chloro-2,4-dimethoxyphenyl)piperazine-1-carboxamide;N-benzyl-4-[5-[3-(dimethylamino)propylamino]-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carboxamide;4-[5-[2-(diethylamino)ethylamino]-6-oxo-1-phenylpyridazin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;ethyl 1-[5-[4-(tert-butylcarbamoyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate
PubChem CID160728023
Molecular FormulaC148H180ClF3N32O16
Molecular Weight2755.72 g/mol
Exact Mass2753.39
IUPAC Name4-[5-(benzylamino)-6-oxo-1-phenylpyridazin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide;4-[5-[(4-benzylcyclohexyl)amino]-6-oxo-1-phenylpyridazin-4-yl]-N-(5-chloro-2,4-dimethoxyphenyl)piperazine-1-carboxamide;N-benzyl-4-[5-[3-(dimethylamino)propylamino]-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carboxamide;4-[5-[2-(diethylamino)ethylamino]-6-oxo-1-phenylpyridazin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;ethyl 1-[5-[4-(tert-butylcarbamoyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate
SMILESCCN(CC)CCNc1c(N2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cnn(-c2ccccc2)c1=O.CCOC(=O)C1CCCN(c2c(N3CCN(C(=O)NC(C)(C)C)CC3)cnn(-c3ccccc3)c2=O)C1.CN(C)CCCNc1c(N2CCN(C(=O)NCc3ccccc3)CC2)cnn(-c2ccccc2)c1=O.COc1cc(OC)c(NC(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3NC3CCC(Cc4ccccc4)CC3)CC2)cc1Cl.COc1ccc(OC)c(NC(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3NCc3ccccc3)CC2)c1
InChIInChI=1S/C36H41ClN6O4.C30H32N6O4.C28H34F3N7O2.C27H35N7O2.C27H38N6O4/c1-46-32-23-33(47-2)30(22-29(32)37)40-36(45)42-19-17-41(18-20-42)31-24-38-43(28-11-7-4-8-12-28)35(44)34(31)39-27-15-13-26(14-16-27)21-25-9-5-3-6-10-25;1-39-24-13-14-27(40-2)25(19-24)33-30(38)35-17-15-34(16-18-35)26-21-32-36(23-11-7-4-8-12-23)29(37)28(26)31-20-22-9-5-3-6-10-22;1-3-35(4-2)15-14-32-25-24(20-33-38(26(25)39)23-8-6-5-7-9-23)36-16-18-37(19-17-36)27(40)34-22-12-10-21(11-13-22)28(29,30)31;1-31(2)15-9-14-28-25-24(21-30-34(26(25)35)23-12-7-4-8-13-23)32-16-18-33(19-17-32)27(36)29-20-22-10-5-3-6-11-22;1-5-37-25(35)20-10-9-13-32(19-20)23-22(18-28-33(24(23)34)21-11-7-6-8-12-21)30-14-16-31(17-15-30)26(36)29-27(2,3)4/h3-12,22-24,26-27,39H,13-21H2,1-2H3,(H,40,45);3-14,19,21,31H,15-18,20H2,1-2H3,(H,33,38);5-13,20,32H,3-4,14-19H2,1-2H3,(H,34,40);3-8,10-13,21,28H,9,14-20H2,1-2H3,(H,29,36);6-8,11-12,18,20H,5,9-10,13-17,19H2,1-4H3,(H,29,36)
InChIKeyRTYUESZQKRRREB-UHFFFAOYSA-N
XLogP20.32
TPSA473.41 Ų
H-Bond Donors9
H-Bond Acceptors38
Rotatable Bonds40
Heavy Atoms200
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002755.72
LogP ≤ 520.32
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[5-(benzylamino)-6-oxo-1-phenylpyridazin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide;4-[5-[(4-benzylcyclohexyl)amino]-6-oxo-1-phenylpyridazin-4-yl]-N-(5-chloro-2,4-dimethoxyphenyl)piperazine-1-carboxamide;N-benzyl-4-[5-[3-(dimethylamino)propylamino]-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carboxamide;4-[5-[2-(diethylamino)ethylamino]-6-oxo-1-phenylpyridazin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;ethyl 1-[5-[4-(tert-butylcarbamoyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(benzylamino)-6-oxo-1-phenylpyridazin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide;4-[5-[(4-benzylcyclohexyl)amino]-6-oxo-1-phenylpyridazin-4-yl]-N-(5-chloro-2,4-dimethoxyphenyl)piperazine-1-carboxamide;N-benzyl-4-[5-[3-(dimethylamino)propylamino]-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carboxamide;4-[5-[2-(diethylamino)ethylamino]-6-oxo-1-phenylpyridazin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;ethyl 1-[5-[4-(tert-butylcarbamoyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate?
The IUPAC name of 4-[5-(benzylamino)-6-oxo-1-phenylpyridazin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide;4-[5-[(4-benzylcyclohexyl)amino]-6-oxo-1-phenylpyridazin-4-yl]-N-(5-chloro-2,4-dimethoxyphenyl)piperazine-1-carboxamide;N-benzyl-4-[5-[3-(dimethylamino)propylamino]-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carboxamide;4-[5-[2-(diethylamino)ethylamino]-6-oxo-1-phenylpyridazin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;ethyl 1-[5-[4-(tert-butylcarbamoyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate (CID 160728023) is 4-[5-(benzylamino)-6-oxo-1-phenylpyridazin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide;4-[5-[(4-benzylcyclohexyl)amino]-6-oxo-1-phenylpyridazin-4-yl]-N-(5-chloro-2,4-dimethoxyphenyl)piperazine-1-carboxamide;N-benzyl-4-[5-[3-(dimethylamino)propylamino]-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carboxamide;4-[5-[2-(diethylamino)ethylamino]-6-oxo-1-phenylpyridazin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;ethyl 1-[5-[4-(tert-butylcarbamoyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate.
What is the SMILES notation for 4-[5-(benzylamino)-6-oxo-1-phenylpyridazin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide;4-[5-[(4-benzylcyclohexyl)amino]-6-oxo-1-phenylpyridazin-4-yl]-N-(5-chloro-2,4-dimethoxyphenyl)piperazine-1-carboxamide;N-benzyl-4-[5-[3-(dimethylamino)propylamino]-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carboxamide;4-[5-[2-(diethylamino)ethylamino]-6-oxo-1-phenylpyridazin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;ethyl 1-[5-[4-(tert-butylcarbamoyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate?
The canonical SMILES for 4-[5-(benzylamino)-6-oxo-1-phenylpyridazin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide;4-[5-[(4-benzylcyclohexyl)amino]-6-oxo-1-phenylpyridazin-4-yl]-N-(5-chloro-2,4-dimethoxyphenyl)piperazine-1-carboxamide;N-benzyl-4-[5-[3-(dimethylamino)propylamino]-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carboxamide;4-[5-[2-(diethylamino)ethylamino]-6-oxo-1-phenylpyridazin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;ethyl 1-[5-[4-(tert-butylcarbamoyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate is CCN(CC)CCNc1c(N2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cnn(-c2ccccc2)c1=O.CCOC(=O)C1CCCN(c2c(N3CCN(C(=O)NC(C)(C)C)CC3)cnn(-c3ccccc3)c2=O)C1.CN(C)CCCNc1c(N2CCN(C(=O)NCc3ccccc3)CC2)cnn(-c2ccccc2)c1=O.COc1cc(OC)c(NC(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3NC3CCC(Cc4ccccc4)CC3)CC2)cc1Cl.COc1ccc(OC)c(NC(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3NCc3ccccc3)CC2)c1.
What is the InChIKey of 4-[5-(benzylamino)-6-oxo-1-phenylpyridazin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide;4-[5-[(4-benzylcyclohexyl)amino]-6-oxo-1-phenylpyridazin-4-yl]-N-(5-chloro-2,4-dimethoxyphenyl)piperazine-1-carboxamide;N-benzyl-4-[5-[3-(dimethylamino)propylamino]-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carboxamide;4-[5-[2-(diethylamino)ethylamino]-6-oxo-1-phenylpyridazin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;ethyl 1-[5-[4-(tert-butylcarbamoyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate?
The InChIKey is RTYUESZQKRRREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41ClN6O4.C30H32N6O4.C28H34F3N7O2.C27H35N7O2.C27H38N6O4/c1-46-32-23-33(47-2)30(22-29(32)37)40-36(45)42-19-17-41(18-20-42)31-24-38-43(28-11-7-4-8-12-28)35(44)34(31)39-27-15-13-26(14-16-27)21-25-9-5-3-6-10-25;1-39-24-13-14-27(40-2)25(19-24)33-30(38)35-17-15-34(16-18-35)26-21-32-36(23-11-7-4-8-12-23)29(37)28(26)31-20-22-9-5-3-6-10-22;1-3-35(4-2)15-14-32-25-24(20-33-38(26(25)39)23-8-6-5-7-9-23)36-16-18-37(19-17-36)27(40)34-22-12-10-21(11-13-22)28(29,30)31;1-31(2)15-9-14-28-25-24(21-30-34(26(25)35)23-12-7-4-8-13-23)32-16-18-33(19-17-32)27(36)29-20-22-10-5-3-6-11-22;1-5-37-25(35)20-10-9-13-32(19-20)23-22(18-28-33(24(23)34)21-11-7-6-8-12-21)30-14-16-31(17-15-30)26(36)29-27(2,3)4/h3-12,22-24,26-27,39H,13-21H2,1-2H3,(H,40,45);3-14,19,21,31H,15-18,20H2,1-2H3,(H,33,38);5-13,20,32H,3-4,14-19H2,1-2H3,(H,34,40);3-8,10-13,21,28H,9,14-20H2,1-2H3,(H,29,36);6-8,11-12,18,20H,5,9-10,13-17,19H2,1-4H3,(H,29,36).
What are the key properties of 4-[5-(benzylamino)-6-oxo-1-phenylpyridazin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide;4-[5-[(4-benzylcyclohexyl)amino]-6-oxo-1-phenylpyridazin-4-yl]-N-(5-chloro-2,4-dimethoxyphenyl)piperazine-1-carboxamide;N-benzyl-4-[5-[3-(dimethylamino)propylamino]-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carboxamide;4-[5-[2-(diethylamino)ethylamino]-6-oxo-1-phenylpyridazin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;ethyl 1-[5-[4-(tert-butylcarbamoyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate?
4-[5-(benzylamino)-6-oxo-1-phenylpyridazin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide;4-[5-[(4-benzylcyclohexyl)amino]-6-oxo-1-phenylpyridazin-4-yl]-N-(5-chloro-2,4-dimethoxyphenyl)piperazine-1-carboxamide;N-benzyl-4-[5-[3-(dimethylamino)propylamino]-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carboxamide;4-[5-[2-(diethylamino)ethylamino]-6-oxo-1-phenylpyridazin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;ethyl 1-[5-[4-(tert-butylcarbamoyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate has a molecular weight of 2755.72 g/mol, XLogP of 20.32, 40 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(benzylamino)-6-oxo-1-phenylpyridazin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide;4-[5-[(4-benzylcyclohexyl)amino]-6-oxo-1-phenylpyridazin-4-yl]-N-(5-chloro-2,4-dimethoxyphenyl)piperazine-1-carboxamide;N-benzyl-4-[5-[3-(dimethylamino)propylamino]-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carboxamide;4-[5-[2-(diethylamino)ethylamino]-6-oxo-1-phenylpyridazin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;ethyl 1-[5-[4-(tert-butylcarbamoyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate is sourced from PubChem (CID 160728023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).