5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]-4-(2-morpholin-4-ylethylamino)-2-phenylpyridazin-3-one;4-[(1-benzylpiperidin-4-yl)amino]-5-[4-[2-(3-fluoro-4-phenylphenyl)propanoyl]piperazin-1-yl]-2-phenylpyridazin-3-one;ethyl 1-[5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-pyridin-3-ylethyl)-5-[4-[3-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]pyridazin-3-one

C157H167F4N31O15S2 — CID 157465972

IUPAC5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]-4-(2-morpholin-4-ylethylamino)-2-phenylpyridazin-3-one;4-[(1-benzylpiperidin-4-yl)amino]-5-[4-[2-(3-fluoro-4-phenylphenyl)propanoyl]piperazin-1-yl]-2-phenylpyridazin-3-one;ethyl 1-[5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-pyridin-3-ylethyl)-5-[4-[3-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]pyridazin-3-one
SMILESCC(=O)c1ccc(C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3NCCN3CCOCC3)CC2)s1.CC(C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2NC2CCN(Cc3ccccc3)CC2)CC1)c1ccc(-c2ccccc2)c(F)c1.CCOC(=O)C1CCCN(c2c(N3CCN(C(=O)c4c[nH]c5ccccc45)CC3)cnn(-c3ccccc3)c2=O)C1.Cc1nn(-c2ccccc2)nc1C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2NCC2CCCO2)CC1.O=C(c1cccc(SC(F)(F)F)c1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2CCc2cccnc2)CC1
InChIInChI=1S/C41H43FN6O2.C31H34N6O4.C29H26F3N5O2S.C29H32N8O3.C27H32N6O4S/c1-30(33-17-18-36(37(42)27-33)32-13-7-3-8-14-32)40(49)47-25-23-46(24-26-47)38-28-43-48(35-15-9-4-10-16-35)41(50)39(38)44-34-19-21-45(22-20-34)29-31-11-5-2-6-12-31;1-2-41-31(40)22-9-8-14-36(21-22)28-27(20-33-37(30(28)39)23-10-4-3-5-11-23)34-15-17-35(18-16-34)29(38)25-19-32-26-13-7-6-12-24(25)26;30-29(31,32)40-24-10-4-7-22(18-24)27(38)36-16-14-35(15-17-36)26-20-34-37(23-8-2-1-3-9-23)28(39)25(26)12-11-21-6-5-13-33-19-21;1-21-26(33-37(32-21)23-11-6-3-7-12-23)28(38)35-16-14-34(15-17-35)25-20-31-36(22-9-4-2-5-10-22)29(39)27(25)30-19-24-13-8-18-40-24;1-20(34)23-7-8-24(38-23)26(35)32-13-11-31(12-14-32)22-19-29-33(21-5-3-2-4-6-21)27(36)25(22)28-9-10-30-15-17-37-18-16-30/h2-18,27-28,30,34,44H,19-26,29H2,1H3;3-7,10-13,19-20,22,32H,2,8-9,14-18,21H2,1H3;1-10,13,18-20H,11-12,14-17H2;2-7,9-12,20,24,30H,8,13-19H2,1H3;2-8,19,28H,9-18H2,1H3
InChIKeyBUMGBGPHWDBPPQ-UHFFFAOYSA-N
MW2868.39 g/mol
LogP19.89
Rot. Bonds37

About 5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]-4-(2-morpholin-4-ylethylamino)-2-phenylpyridazin-3-one;4-[(1-benzylpiperidin-4-yl)amino]-5-[4-[2-(3-fluoro-4-phenylphenyl)propanoyl]piperazin-1-yl]-2-phenylpyridazin-3-one;ethyl 1-[5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-pyridin-3-ylethyl)-5-[4-[3-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]pyridazin-3-one

5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]-4-(2-morpholin-4-ylethylamino)-2-phenylpyridazin-3-one;4-[(1-benzylpiperidin-4-yl)amino]-5-[4-[2-(3-fluoro-4-phenylphenyl)propanoyl]piperazin-1-yl]-2-phenylpyridazin-3-one;ethyl 1-[5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-pyridin-3-ylethyl)-5-[4-[3-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]pyridazin-3-one (PubChem CID 157465972) has the molecular formula C157H167F4N31O15S2 and a molecular weight of 2868.39 g/mol. Its IUPAC name is 5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]-4-(2-morpholin-4-ylethylamino)-2-phenylpyridazin-3-one;4-[(1-benzylpiperidin-4-yl)amino]-5-[4-[2-(3-fluoro-4-phenylphenyl)propanoyl]piperazin-1-yl]-2-phenylpyridazin-3-one;ethyl 1-[5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-pyridin-3-ylethyl)-5-[4-[3-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]-4-(2-morpholin-4-ylethylamino)-2-phenylpyridazin-3-one;4-[(1-benzylpiperidin-4-yl)amino]-5-[4-[2-(3-fluoro-4-phenylphenyl)propanoyl]piperazin-1-yl]-2-phenylpyridazin-3-one;ethyl 1-[5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-pyridin-3-ylethyl)-5-[4-[3-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]pyridazin-3-one
PubChem CID157465972
Molecular FormulaC157H167F4N31O15S2
Molecular Weight2868.39 g/mol
Exact Mass2866.26
IUPAC Name5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]-4-(2-morpholin-4-ylethylamino)-2-phenylpyridazin-3-one;4-[(1-benzylpiperidin-4-yl)amino]-5-[4-[2-(3-fluoro-4-phenylphenyl)propanoyl]piperazin-1-yl]-2-phenylpyridazin-3-one;ethyl 1-[5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-pyridin-3-ylethyl)-5-[4-[3-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]pyridazin-3-one
SMILESCC(=O)c1ccc(C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3NCCN3CCOCC3)CC2)s1.CC(C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2NC2CCN(Cc3ccccc3)CC2)CC1)c1ccc(-c2ccccc2)c(F)c1.CCOC(=O)C1CCCN(c2c(N3CCN(C(=O)c4c[nH]c5ccccc45)CC3)cnn(-c3ccccc3)c2=O)C1.Cc1nn(-c2ccccc2)nc1C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2NCC2CCCO2)CC1.O=C(c1cccc(SC(F)(F)F)c1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2CCc2cccnc2)CC1
InChIInChI=1S/C41H43FN6O2.C31H34N6O4.C29H26F3N5O2S.C29H32N8O3.C27H32N6O4S/c1-30(33-17-18-36(37(42)27-33)32-13-7-3-8-14-32)40(49)47-25-23-46(24-26-47)38-28-43-48(35-15-9-4-10-16-35)41(50)39(38)44-34-19-21-45(22-20-34)29-31-11-5-2-6-12-31;1-2-41-31(40)22-9-8-14-36(21-22)28-27(20-33-37(30(28)39)23-10-4-3-5-11-23)34-15-17-35(18-16-34)29(38)25-19-32-26-13-7-6-12-24(25)26;30-29(31,32)40-24-10-4-7-22(18-24)27(38)36-16-14-35(15-17-36)26-20-34-37(23-8-2-1-3-9-23)28(39)25(26)12-11-21-6-5-13-33-19-21;1-21-26(33-37(32-21)23-11-6-3-7-12-23)28(38)35-16-14-34(15-17-35)25-20-31-36(22-9-4-2-5-10-22)29(39)27(25)30-19-24-13-8-18-40-24;1-20(34)23-7-8-24(38-23)26(35)32-13-11-31(12-14-32)22-19-29-33(21-5-3-2-4-6-21)27(36)25(22)28-9-10-30-15-17-37-18-16-30/h2-18,27-28,30,34,44H,19-26,29H2,1H3;3-7,10-13,19-20,22,32H,2,8-9,14-18,21H2,1H3;1-10,13,18-20H,11-12,14-17H2;2-7,9-12,20,24,30H,8,13-19H2,1H3;2-8,19,28H,9-18H2,1H3
InChIKeyBUMGBGPHWDBPPQ-UHFFFAOYSA-N
XLogP19.89
TPSA459.23 Ų
H-Bond Donors4
H-Bond Acceptors42
Rotatable Bonds37
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002868.39
LogP ≤ 519.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1042

Analyze 5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]-4-(2-morpholin-4-ylethylamino)-2-phenylpyridazin-3-one;4-[(1-benzylpiperidin-4-yl)amino]-5-[4-[2-(3-fluoro-4-phenylphenyl)propanoyl]piperazin-1-yl]-2-phenylpyridazin-3-one;ethyl 1-[5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-pyridin-3-ylethyl)-5-[4-[3-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]pyridazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]-4-(2-morpholin-4-ylethylamino)-2-phenylpyridazin-3-one;4-[(1-benzylpiperidin-4-yl)amino]-5-[4-[2-(3-fluoro-4-phenylphenyl)propanoyl]piperazin-1-yl]-2-phenylpyridazin-3-one;ethyl 1-[5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-pyridin-3-ylethyl)-5-[4-[3-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]-4-(2-morpholin-4-ylethylamino)-2-phenylpyridazin-3-one;4-[(1-benzylpiperidin-4-yl)amino]-5-[4-[2-(3-fluoro-4-phenylphenyl)propanoyl]piperazin-1-yl]-2-phenylpyridazin-3-one;ethyl 1-[5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-pyridin-3-ylethyl)-5-[4-[3-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]pyridazin-3-one (CID 157465972) is 5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]-4-(2-morpholin-4-ylethylamino)-2-phenylpyridazin-3-one;4-[(1-benzylpiperidin-4-yl)amino]-5-[4-[2-(3-fluoro-4-phenylphenyl)propanoyl]piperazin-1-yl]-2-phenylpyridazin-3-one;ethyl 1-[5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-pyridin-3-ylethyl)-5-[4-[3-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]-4-(2-morpholin-4-ylethylamino)-2-phenylpyridazin-3-one;4-[(1-benzylpiperidin-4-yl)amino]-5-[4-[2-(3-fluoro-4-phenylphenyl)propanoyl]piperazin-1-yl]-2-phenylpyridazin-3-one;ethyl 1-[5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-pyridin-3-ylethyl)-5-[4-[3-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]-4-(2-morpholin-4-ylethylamino)-2-phenylpyridazin-3-one;4-[(1-benzylpiperidin-4-yl)amino]-5-[4-[2-(3-fluoro-4-phenylphenyl)propanoyl]piperazin-1-yl]-2-phenylpyridazin-3-one;ethyl 1-[5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-pyridin-3-ylethyl)-5-[4-[3-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]pyridazin-3-one is CC(=O)c1ccc(C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3NCCN3CCOCC3)CC2)s1.CC(C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2NC2CCN(Cc3ccccc3)CC2)CC1)c1ccc(-c2ccccc2)c(F)c1.CCOC(=O)C1CCCN(c2c(N3CCN(C(=O)c4c[nH]c5ccccc45)CC3)cnn(-c3ccccc3)c2=O)C1.Cc1nn(-c2ccccc2)nc1C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2NCC2CCCO2)CC1.O=C(c1cccc(SC(F)(F)F)c1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2CCc2cccnc2)CC1.
What is the InChIKey of 5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]-4-(2-morpholin-4-ylethylamino)-2-phenylpyridazin-3-one;4-[(1-benzylpiperidin-4-yl)amino]-5-[4-[2-(3-fluoro-4-phenylphenyl)propanoyl]piperazin-1-yl]-2-phenylpyridazin-3-one;ethyl 1-[5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-pyridin-3-ylethyl)-5-[4-[3-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]pyridazin-3-one?
The InChIKey is BUMGBGPHWDBPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H43FN6O2.C31H34N6O4.C29H26F3N5O2S.C29H32N8O3.C27H32N6O4S/c1-30(33-17-18-36(37(42)27-33)32-13-7-3-8-14-32)40(49)47-25-23-46(24-26-47)38-28-43-48(35-15-9-4-10-16-35)41(50)39(38)44-34-19-21-45(22-20-34)29-31-11-5-2-6-12-31;1-2-41-31(40)22-9-8-14-36(21-22)28-27(20-33-37(30(28)39)23-10-4-3-5-11-23)34-15-17-35(18-16-34)29(38)25-19-32-26-13-7-6-12-24(25)26;30-29(31,32)40-24-10-4-7-22(18-24)27(38)36-16-14-35(15-17-36)26-20-34-37(23-8-2-1-3-9-23)28(39)25(26)12-11-21-6-5-13-33-19-21;1-21-26(33-37(32-21)23-11-6-3-7-12-23)28(38)35-16-14-34(15-17-35)25-20-31-36(22-9-4-2-5-10-22)29(39)27(25)30-19-24-13-8-18-40-24;1-20(34)23-7-8-24(38-23)26(35)32-13-11-31(12-14-32)22-19-29-33(21-5-3-2-4-6-21)27(36)25(22)28-9-10-30-15-17-37-18-16-30/h2-18,27-28,30,34,44H,19-26,29H2,1H3;3-7,10-13,19-20,22,32H,2,8-9,14-18,21H2,1H3;1-10,13,18-20H,11-12,14-17H2;2-7,9-12,20,24,30H,8,13-19H2,1H3;2-8,19,28H,9-18H2,1H3.
What are the key properties of 5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]-4-(2-morpholin-4-ylethylamino)-2-phenylpyridazin-3-one;4-[(1-benzylpiperidin-4-yl)amino]-5-[4-[2-(3-fluoro-4-phenylphenyl)propanoyl]piperazin-1-yl]-2-phenylpyridazin-3-one;ethyl 1-[5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-pyridin-3-ylethyl)-5-[4-[3-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]pyridazin-3-one?
5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]-4-(2-morpholin-4-ylethylamino)-2-phenylpyridazin-3-one;4-[(1-benzylpiperidin-4-yl)amino]-5-[4-[2-(3-fluoro-4-phenylphenyl)propanoyl]piperazin-1-yl]-2-phenylpyridazin-3-one;ethyl 1-[5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-pyridin-3-ylethyl)-5-[4-[3-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]pyridazin-3-one has a molecular weight of 2868.39 g/mol, XLogP of 19.89, 37 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]-4-(2-morpholin-4-ylethylamino)-2-phenylpyridazin-3-one;4-[(1-benzylpiperidin-4-yl)amino]-5-[4-[2-(3-fluoro-4-phenylphenyl)propanoyl]piperazin-1-yl]-2-phenylpyridazin-3-one;ethyl 1-[5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-pyridin-3-ylethyl)-5-[4-[3-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 157465972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).