5-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]-4-[3-(dimethylamino)propylamino]-2-phenylpyridazin-3-one;N-[4-bromo-2-[4-[5-(3-ethoxypropylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carbonyl]phenyl]acetamide;5-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]-4-(2-ethoxyethylamino)-2-phenylpyridazin-3-one;5-[4-(9H-fluorene-9-carbonyl)piperazin-1-yl]-4-(2-phenoxyethylamino)-2-phenylpyridazin-3-one

C122H141BrN22O15S — CID 157479539

IUPAC5-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]-4-[3-(dimethylamino)propylamino]-2-phenylpyridazin-3-one;N-[4-bromo-2-[4-[5-(3-ethoxypropylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carbonyl]phenyl]acetamide;5-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]-4-(2-ethoxyethylamino)-2-phenylpyridazin-3-one;5-[4-(9H-fluorene-9-carbonyl)piperazin-1-yl]-4-(2-phenoxyethylamino)-2-phenylpyridazin-3-one
SMILESCCOCCCNc1c(N2CCN(C(=O)c3cc(Br)ccc3NC(C)=O)CC2)cnn(-c2ccccc2)c1=O.CCOCCNc1c(N2CCN(C(=O)c3cc(C(C)(C)C)ccc3OC)CC2)cnn(-c2ccccc2)c1=O.CN(C)CCCNc1c(N2CCN(C(=O)CCS(=O)(=O)c3ccccc3)CC2)cnn(-c2ccccc2)c1=O.O=C(C1c2ccccc2-c2ccccc21)N1CCN(c2cnn(-c3ccccc3)c(=O)c2NCCOc2ccccc2)CC1
InChIInChI=1S/C36H33N5O3.C30H39N5O4.C28H33BrN6O4.C28H36N6O4S/c42-35(33-30-17-9-7-15-28(30)29-16-8-10-18-31(29)33)40-22-20-39(21-23-40)32-25-38-41(26-11-3-1-4-12-26)36(43)34(32)37-19-24-44-27-13-5-2-6-14-27;1-6-39-19-14-31-27-25(21-32-35(29(27)37)23-10-8-7-9-11-23)33-15-17-34(18-16-33)28(36)24-20-22(30(2,3)4)12-13-26(24)38-5;1-3-39-17-7-12-30-26-25(19-31-35(28(26)38)22-8-5-4-6-9-22)33-13-15-34(16-14-33)27(37)23-18-21(29)10-11-24(23)32-20(2)36;1-31(2)16-9-15-29-27-25(22-30-34(28(27)36)23-10-5-3-6-11-23)32-17-19-33(20-18-32)26(35)14-21-39(37,38)24-12-7-4-8-13-24/h1-18,25,33,37H,19-24H2;7-13,20-21,31H,6,14-19H2,1-5H3;4-6,8-11,18-19,30H,3,7,12-17H2,1-2H3,(H,32,36);3-8,10-13,22,29H,9,14-21H2,1-2H3
InChIKeyBVZROOMXCUUCMD-UHFFFAOYSA-N
MW2267.58 g/mol
LogP15.00
Rot. Bonds38

About 5-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]-4-[3-(dimethylamino)propylamino]-2-phenylpyridazin-3-one;N-[4-bromo-2-[4-[5-(3-ethoxypropylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carbonyl]phenyl]acetamide;5-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]-4-(2-ethoxyethylamino)-2-phenylpyridazin-3-one;5-[4-(9H-fluorene-9-carbonyl)piperazin-1-yl]-4-(2-phenoxyethylamino)-2-phenylpyridazin-3-one

5-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]-4-[3-(dimethylamino)propylamino]-2-phenylpyridazin-3-one;N-[4-bromo-2-[4-[5-(3-ethoxypropylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carbonyl]phenyl]acetamide;5-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]-4-(2-ethoxyethylamino)-2-phenylpyridazin-3-one;5-[4-(9H-fluorene-9-carbonyl)piperazin-1-yl]-4-(2-phenoxyethylamino)-2-phenylpyridazin-3-one (PubChem CID 157479539) has the molecular formula C122H141BrN22O15S and a molecular weight of 2267.58 g/mol. Its IUPAC name is 5-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]-4-[3-(dimethylamino)propylamino]-2-phenylpyridazin-3-one;N-[4-bromo-2-[4-[5-(3-ethoxypropylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carbonyl]phenyl]acetamide;5-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]-4-(2-ethoxyethylamino)-2-phenylpyridazin-3-one;5-[4-(9H-fluorene-9-carbonyl)piperazin-1-yl]-4-(2-phenoxyethylamino)-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]-4-[3-(dimethylamino)propylamino]-2-phenylpyridazin-3-one;N-[4-bromo-2-[4-[5-(3-ethoxypropylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carbonyl]phenyl]acetamide;5-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]-4-(2-ethoxyethylamino)-2-phenylpyridazin-3-one;5-[4-(9H-fluorene-9-carbonyl)piperazin-1-yl]-4-(2-phenoxyethylamino)-2-phenylpyridazin-3-one
PubChem CID157479539
Molecular FormulaC122H141BrN22O15S
Molecular Weight2267.58 g/mol
Exact Mass2264.99
IUPAC Name5-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]-4-[3-(dimethylamino)propylamino]-2-phenylpyridazin-3-one;N-[4-bromo-2-[4-[5-(3-ethoxypropylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carbonyl]phenyl]acetamide;5-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]-4-(2-ethoxyethylamino)-2-phenylpyridazin-3-one;5-[4-(9H-fluorene-9-carbonyl)piperazin-1-yl]-4-(2-phenoxyethylamino)-2-phenylpyridazin-3-one
SMILESCCOCCCNc1c(N2CCN(C(=O)c3cc(Br)ccc3NC(C)=O)CC2)cnn(-c2ccccc2)c1=O.CCOCCNc1c(N2CCN(C(=O)c3cc(C(C)(C)C)ccc3OC)CC2)cnn(-c2ccccc2)c1=O.CN(C)CCCNc1c(N2CCN(C(=O)CCS(=O)(=O)c3ccccc3)CC2)cnn(-c2ccccc2)c1=O.O=C(C1c2ccccc2-c2ccccc21)N1CCN(c2cnn(-c3ccccc3)c(=O)c2NCCOc2ccccc2)CC1
InChIInChI=1S/C36H33N5O3.C30H39N5O4.C28H33BrN6O4.C28H36N6O4S/c42-35(33-30-17-9-7-15-28(30)29-16-8-10-18-31(29)33)40-22-20-39(21-23-40)32-25-38-41(26-11-3-1-4-12-26)36(43)34(32)37-19-24-44-27-13-5-2-6-14-27;1-6-39-19-14-31-27-25(21-32-35(29(27)37)23-10-8-7-9-11-23)33-15-17-34(18-16-33)28(36)24-20-22(30(2,3)4)12-13-26(24)38-5;1-3-39-17-7-12-30-26-25(19-31-35(28(26)38)22-8-5-4-6-9-22)33-13-15-34(16-14-33)27(37)23-18-21(29)10-11-24(23)32-20(2)36;1-31(2)16-9-15-29-27-25(22-30-34(28(27)36)23-10-5-3-6-11-23)32-17-19-33(20-18-32)26(35)14-21-39(37,38)24-12-7-4-8-13-24/h1-18,25,33,37H,19-24H2;7-13,20-21,31H,6,14-19H2,1-5H3;4-6,8-11,18-19,30H,3,7,12-17H2,1-2H3,(H,32,36);3-8,10-13,22,29H,9,14-21H2,1-2H3
InChIKeyBVZROOMXCUUCMD-UHFFFAOYSA-N
XLogP15.00
TPSA385.28 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds38
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002267.58
LogP ≤ 515.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 5-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]-4-[3-(dimethylamino)propylamino]-2-phenylpyridazin-3-one;N-[4-bromo-2-[4-[5-(3-ethoxypropylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carbonyl]phenyl]acetamide;5-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]-4-(2-ethoxyethylamino)-2-phenylpyridazin-3-one;5-[4-(9H-fluorene-9-carbonyl)piperazin-1-yl]-4-(2-phenoxyethylamino)-2-phenylpyridazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]-4-[3-(dimethylamino)propylamino]-2-phenylpyridazin-3-one;N-[4-bromo-2-[4-[5-(3-ethoxypropylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carbonyl]phenyl]acetamide;5-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]-4-(2-ethoxyethylamino)-2-phenylpyridazin-3-one;5-[4-(9H-fluorene-9-carbonyl)piperazin-1-yl]-4-(2-phenoxyethylamino)-2-phenylpyridazin-3-one?
The IUPAC name of 5-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]-4-[3-(dimethylamino)propylamino]-2-phenylpyridazin-3-one;N-[4-bromo-2-[4-[5-(3-ethoxypropylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carbonyl]phenyl]acetamide;5-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]-4-(2-ethoxyethylamino)-2-phenylpyridazin-3-one;5-[4-(9H-fluorene-9-carbonyl)piperazin-1-yl]-4-(2-phenoxyethylamino)-2-phenylpyridazin-3-one (CID 157479539) is 5-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]-4-[3-(dimethylamino)propylamino]-2-phenylpyridazin-3-one;N-[4-bromo-2-[4-[5-(3-ethoxypropylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carbonyl]phenyl]acetamide;5-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]-4-(2-ethoxyethylamino)-2-phenylpyridazin-3-one;5-[4-(9H-fluorene-9-carbonyl)piperazin-1-yl]-4-(2-phenoxyethylamino)-2-phenylpyridazin-3-one.
What is the SMILES notation for 5-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]-4-[3-(dimethylamino)propylamino]-2-phenylpyridazin-3-one;N-[4-bromo-2-[4-[5-(3-ethoxypropylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carbonyl]phenyl]acetamide;5-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]-4-(2-ethoxyethylamino)-2-phenylpyridazin-3-one;5-[4-(9H-fluorene-9-carbonyl)piperazin-1-yl]-4-(2-phenoxyethylamino)-2-phenylpyridazin-3-one?
The canonical SMILES for 5-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]-4-[3-(dimethylamino)propylamino]-2-phenylpyridazin-3-one;N-[4-bromo-2-[4-[5-(3-ethoxypropylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carbonyl]phenyl]acetamide;5-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]-4-(2-ethoxyethylamino)-2-phenylpyridazin-3-one;5-[4-(9H-fluorene-9-carbonyl)piperazin-1-yl]-4-(2-phenoxyethylamino)-2-phenylpyridazin-3-one is CCOCCCNc1c(N2CCN(C(=O)c3cc(Br)ccc3NC(C)=O)CC2)cnn(-c2ccccc2)c1=O.CCOCCNc1c(N2CCN(C(=O)c3cc(C(C)(C)C)ccc3OC)CC2)cnn(-c2ccccc2)c1=O.CN(C)CCCNc1c(N2CCN(C(=O)CCS(=O)(=O)c3ccccc3)CC2)cnn(-c2ccccc2)c1=O.O=C(C1c2ccccc2-c2ccccc21)N1CCN(c2cnn(-c3ccccc3)c(=O)c2NCCOc2ccccc2)CC1.
What is the InChIKey of 5-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]-4-[3-(dimethylamino)propylamino]-2-phenylpyridazin-3-one;N-[4-bromo-2-[4-[5-(3-ethoxypropylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carbonyl]phenyl]acetamide;5-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]-4-(2-ethoxyethylamino)-2-phenylpyridazin-3-one;5-[4-(9H-fluorene-9-carbonyl)piperazin-1-yl]-4-(2-phenoxyethylamino)-2-phenylpyridazin-3-one?
The InChIKey is BVZROOMXCUUCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33N5O3.C30H39N5O4.C28H33BrN6O4.C28H36N6O4S/c42-35(33-30-17-9-7-15-28(30)29-16-8-10-18-31(29)33)40-22-20-39(21-23-40)32-25-38-41(26-11-3-1-4-12-26)36(43)34(32)37-19-24-44-27-13-5-2-6-14-27;1-6-39-19-14-31-27-25(21-32-35(29(27)37)23-10-8-7-9-11-23)33-15-17-34(18-16-33)28(36)24-20-22(30(2,3)4)12-13-26(24)38-5;1-3-39-17-7-12-30-26-25(19-31-35(28(26)38)22-8-5-4-6-9-22)33-13-15-34(16-14-33)27(37)23-18-21(29)10-11-24(23)32-20(2)36;1-31(2)16-9-15-29-27-25(22-30-34(28(27)36)23-10-5-3-6-11-23)32-17-19-33(20-18-32)26(35)14-21-39(37,38)24-12-7-4-8-13-24/h1-18,25,33,37H,19-24H2;7-13,20-21,31H,6,14-19H2,1-5H3;4-6,8-11,18-19,30H,3,7,12-17H2,1-2H3,(H,32,36);3-8,10-13,22,29H,9,14-21H2,1-2H3.
What are the key properties of 5-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]-4-[3-(dimethylamino)propylamino]-2-phenylpyridazin-3-one;N-[4-bromo-2-[4-[5-(3-ethoxypropylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carbonyl]phenyl]acetamide;5-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]-4-(2-ethoxyethylamino)-2-phenylpyridazin-3-one;5-[4-(9H-fluorene-9-carbonyl)piperazin-1-yl]-4-(2-phenoxyethylamino)-2-phenylpyridazin-3-one?
5-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]-4-[3-(dimethylamino)propylamino]-2-phenylpyridazin-3-one;N-[4-bromo-2-[4-[5-(3-ethoxypropylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carbonyl]phenyl]acetamide;5-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]-4-(2-ethoxyethylamino)-2-phenylpyridazin-3-one;5-[4-(9H-fluorene-9-carbonyl)piperazin-1-yl]-4-(2-phenoxyethylamino)-2-phenylpyridazin-3-one has a molecular weight of 2267.58 g/mol, XLogP of 15.00, 38 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]-4-[3-(dimethylamino)propylamino]-2-phenylpyridazin-3-one;N-[4-bromo-2-[4-[5-(3-ethoxypropylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazine-1-carbonyl]phenyl]acetamide;5-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]-4-(2-ethoxyethylamino)-2-phenylpyridazin-3-one;5-[4-(9H-fluorene-9-carbonyl)piperazin-1-yl]-4-(2-phenoxyethylamino)-2-phenylpyridazin-3-one is sourced from PubChem (CID 157479539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).