5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]-4-(2-morpholin-4-ylethylamino)-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-[2-(2-isocyanophenyl)sulfanylbenzoyl]piperazin-1-yl]-2-phenyl-4-(2-pyridin-3-yloxyethylamino)pyridazin-3-one;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one

C122H129N27O14S2 — CID 158042703

About 5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]-4-(2-morpholin-4-ylethylamino)-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-[2-(2-isocyanophenyl)sulfanylbenzoyl]piperazin-1-yl]-2-phenyl-4-(2-pyridin-3-yloxyethylamino)pyridazin-3-one;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one

5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]-4-(2-morpholin-4-ylethylamino)-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-[2-(2-isocyanophenyl)sulfanylbenzoyl]piperazin-1-yl]-2-phenyl-4-(2-pyridin-3-yloxyethylamino)pyridazin-3-one;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one (PubChem CID 158042703) has the molecular formula C122H129N27O14S2 and a molecular weight of 2261.68 g/mol. Its IUPAC name is 5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]-4-(2-morpholin-4-ylethylamino)-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-[2-(2-isocyanophenyl)sulfanylbenzoyl]piperazin-1-yl]-2-phenyl-4-(2-pyridin-3-yloxyethylamino)pyridazin-3-one;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one.

Molecular Properties

• Compound Name: 5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]-4-(2-morpholin-4-ylethylamino)-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-[2-(2-isocyanophenyl)sulfanylbenzoyl]piperazin-1-yl]-2-phenyl-4-(2-pyridin-3-yloxyethylamino)pyridazin-3-one;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one
• PubChem CID: 158042703
• Molecular Formula: C122H129N27O14S2
• Molecular Weight: 2261.68 g/mol
• Exact Mass: 2259.97
• IUPAC Name: 5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]-4-(2-morpholin-4-ylethylamino)-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-[2-(2-isocyanophenyl)sulfanylbenzoyl]piperazin-1-yl]-2-phenyl-4-(2-pyridin-3-yloxyethylamino)pyridazin-3-one;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one
• SMILES: CC(=O)c1ccc(C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3NCCN3CCOCC3)CC2)s1.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.[C-]#[N+]c1ccccc1Sc1ccccc1C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2NCCOc2cccnc2)CC1
• InChI: InChI=1S/C35H31N7O3S.C31H34N6O4.C29H32N8O3.C27H32N6O4S/c1-36-29-14-6-8-16-32(29)46-31-15-7-5-13-28(31)34(43)41-21-19-40(20-22-41)30-25-39-42(26-10-3-2-4-11-26)35(44)33(30)38-18-23-45-27-12-9-17-37-24-27;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;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/h2-17,24-25,38H,18-23H2;3-7,10-13,19-20,22,32H,2,8-9,14-18,21H2,1H3;2-7,9-12,20,24,30H,8,13-19H2,1H3;2-8,19,28H,9-18H2,1H3
• InChIKey: FINSVJWMGXPQPB-UHFFFAOYSA-N
• XLogP: 14.12
• TPSA: 411.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 37
• Rotatable Bonds: 31
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2261.68
LogP ≤ 5	14.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

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;ethyl 1-[5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate;5-[4-[2-(2-isocyanophenyl)sulfanylbenzoyl]piperazin-1-yl]-2-phenyl-4-(2-pyridin-3-yloxyethylamino)pyridazin-3-one;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one?

The IUPAC name of 5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]-4-(2-morpholin-4-ylethylamino)-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-[2-(2-isocyanophenyl)sulfanylbenzoyl]piperazin-1-yl]-2-phenyl-4-(2-pyridin-3-yloxyethylamino)pyridazin-3-one;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one (CID 158042703) is 5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]-4-(2-morpholin-4-ylethylamino)-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-[2-(2-isocyanophenyl)sulfanylbenzoyl]piperazin-1-yl]-2-phenyl-4-(2-pyridin-3-yloxyethylamino)pyridazin-3-one;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-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;ethyl 1-[5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate;5-[4-[2-(2-isocyanophenyl)sulfanylbenzoyl]piperazin-1-yl]-2-phenyl-4-(2-pyridin-3-yloxyethylamino)pyridazin-3-one;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one?

The canonical SMILES for 5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]-4-(2-morpholin-4-ylethylamino)-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-[2-(2-isocyanophenyl)sulfanylbenzoyl]piperazin-1-yl]-2-phenyl-4-(2-pyridin-3-yloxyethylamino)pyridazin-3-one;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one is CC(=O)c1ccc(C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3NCCN3CCOCC3)CC2)s1.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.[C-]#[N+]c1ccccc1Sc1ccccc1C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2NCCOc2cccnc2)CC1.

What is the InChIKey of 5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]-4-(2-morpholin-4-ylethylamino)-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-[2-(2-isocyanophenyl)sulfanylbenzoyl]piperazin-1-yl]-2-phenyl-4-(2-pyridin-3-yloxyethylamino)pyridazin-3-one;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one?

The InChIKey is FINSVJWMGXPQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N7O3S.C31H34N6O4.C29H32N8O3.C27H32N6O4S/c1-36-29-14-6-8-16-32(29)46-31-15-7-5-13-28(31)34(43)41-21-19-40(20-22-41)30-25-39-42(26-10-3-2-4-11-26)35(44)33(30)38-18-23-45-27-12-9-17-37-24-27;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;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/h2-17,24-25,38H,18-23H2;3-7,10-13,19-20,22,32H,2,8-9,14-18,21H2,1H3;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;ethyl 1-[5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate;5-[4-[2-(2-isocyanophenyl)sulfanylbenzoyl]piperazin-1-yl]-2-phenyl-4-(2-pyridin-3-yloxyethylamino)pyridazin-3-one;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one?

5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]-4-(2-morpholin-4-ylethylamino)-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-[2-(2-isocyanophenyl)sulfanylbenzoyl]piperazin-1-yl]-2-phenyl-4-(2-pyridin-3-yloxyethylamino)pyridazin-3-one;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one has a molecular weight of 2261.68 g/mol, XLogP of 14.12, 31 rotatable bonds, 4 hydrogen bond donors, and 37 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;ethyl 1-[5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3-oxo-2-phenylpyridazin-4-yl]piperidine-3-carboxylate;5-[4-[2-(2-isocyanophenyl)sulfanylbenzoyl]piperazin-1-yl]-2-phenyl-4-(2-pyridin-3-yloxyethylamino)pyridazin-3-one;5-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]-4-(oxolan-2-ylmethylamino)-2-phenylpyridazin-3-one is sourced from PubChem (CID 158042703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).