5-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]-4-methoxypyrazol-3-yl]-1-[(4-methylpiperazin-1-yl)methyl]-3-phenylpyridin-2-one;5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-phenacylpyridin-2-one

C60H60Cl2N10O6S2 — CID 130423207

About 5-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]-4-methoxypyrazol-3-yl]-1-[(4-methylpiperazin-1-yl)methyl]-3-phenylpyridin-2-one;5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-phenacylpyridin-2-one

5-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]-4-methoxypyrazol-3-yl]-1-[(4-methylpiperazin-1-yl)methyl]-3-phenylpyridin-2-one;5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-phenacylpyridin-2-one (PubChem CID 130423207) has the molecular formula C60H60Cl2N10O6S2 and a molecular weight of 1152.24 g/mol. Its IUPAC name is 5-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]-4-methoxypyrazol-3-yl]-1-[(4-methylpiperazin-1-yl)methyl]-3-phenylpyridin-2-one;5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-phenacylpyridin-2-one.

Molecular Properties

• Compound Name: 5-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]-4-methoxypyrazol-3-yl]-1-[(4-methylpiperazin-1-yl)methyl]-3-phenylpyridin-2-one;5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-phenacylpyridin-2-one
• PubChem CID: 130423207
• Molecular Formula: C60H60Cl2N10O6S2
• Molecular Weight: 1152.24 g/mol
• Exact Mass: 1150.35
• IUPAC Name: 5-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]-4-methoxypyrazol-3-yl]-1-[(4-methylpiperazin-1-yl)methyl]-3-phenylpyridin-2-one;5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-phenacylpyridin-2-one
• SMILES: CN(Cc1ccc(Cl)s1)c1cc(-c2ccc(=O)n(CC(=O)c3ccccc3)c2)nn1C(=O)C(C)(C)C.COc1c(-c2cc(-c3ccccc3)c(=O)n(CN3CCN(C)CC3)c2)nn(C(=O)c2ccccc2)c1NCc1ccc(Cl)s1
• InChI: InChI=1S/C33H33ClN6O3S.C27H27ClN4O3S/c1-37-15-17-38(18-16-37)22-39-21-25(19-27(33(39)42)23-9-5-3-6-10-23)29-30(43-2)31(35-20-26-13-14-28(34)44-26)40(36-29)32(41)24-11-7-4-8-12-24;1-27(2,3)26(35)32-24(30(4)16-20-11-12-23(28)36-20)14-21(29-32)19-10-13-25(34)31(15-19)17-22(33)18-8-6-5-7-9-18/h3-14,19,21,35H,15-18,20,22H2,1-2H3;5-15H,16-17H2,1-4H3
• InChIKey: IPLHLEZCBRUNOQ-UHFFFAOYSA-N
• XLogP: 11.24
• TPSA: 161.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1152.24
LogP ≤ 5	11.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 5-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]-4-methoxypyrazol-3-yl]-1-[(4-methylpiperazin-1-yl)methyl]-3-phenylpyridin-2-one;5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-phenacylpyridin-2-one?

The IUPAC name of 5-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]-4-methoxypyrazol-3-yl]-1-[(4-methylpiperazin-1-yl)methyl]-3-phenylpyridin-2-one;5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-phenacylpyridin-2-one (CID 130423207) is 5-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]-4-methoxypyrazol-3-yl]-1-[(4-methylpiperazin-1-yl)methyl]-3-phenylpyridin-2-one;5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-phenacylpyridin-2-one.

What is the SMILES notation for 5-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]-4-methoxypyrazol-3-yl]-1-[(4-methylpiperazin-1-yl)methyl]-3-phenylpyridin-2-one;5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-phenacylpyridin-2-one?

The canonical SMILES for 5-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]-4-methoxypyrazol-3-yl]-1-[(4-methylpiperazin-1-yl)methyl]-3-phenylpyridin-2-one;5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-phenacylpyridin-2-one is CN(Cc1ccc(Cl)s1)c1cc(-c2ccc(=O)n(CC(=O)c3ccccc3)c2)nn1C(=O)C(C)(C)C.COc1c(-c2cc(-c3ccccc3)c(=O)n(CN3CCN(C)CC3)c2)nn(C(=O)c2ccccc2)c1NCc1ccc(Cl)s1.

What is the InChIKey of 5-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]-4-methoxypyrazol-3-yl]-1-[(4-methylpiperazin-1-yl)methyl]-3-phenylpyridin-2-one;5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-phenacylpyridin-2-one?

The InChIKey is IPLHLEZCBRUNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33ClN6O3S.C27H27ClN4O3S/c1-37-15-17-38(18-16-37)22-39-21-25(19-27(33(39)42)23-9-5-3-6-10-23)29-30(43-2)31(35-20-26-13-14-28(34)44-26)40(36-29)32(41)24-11-7-4-8-12-24;1-27(2,3)26(35)32-24(30(4)16-20-11-12-23(28)36-20)14-21(29-32)19-10-13-25(34)31(15-19)17-22(33)18-8-6-5-7-9-18/h3-14,19,21,35H,15-18,20,22H2,1-2H3;5-15H,16-17H2,1-4H3.

What are the key properties of 5-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]-4-methoxypyrazol-3-yl]-1-[(4-methylpiperazin-1-yl)methyl]-3-phenylpyridin-2-one;5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-phenacylpyridin-2-one?

5-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]-4-methoxypyrazol-3-yl]-1-[(4-methylpiperazin-1-yl)methyl]-3-phenylpyridin-2-one;5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-phenacylpyridin-2-one has a molecular weight of 1152.24 g/mol, XLogP of 11.24, 16 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]-4-methoxypyrazol-3-yl]-1-[(4-methylpiperazin-1-yl)methyl]-3-phenylpyridin-2-one;5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-phenacylpyridin-2-one is sourced from PubChem (CID 130423207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).