4-[3-chloro-5-methoxy-4-[4-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazine-1-carbonyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one

C38H43ClN8O5 — CID 169241729

About 4-[3-chloro-5-methoxy-4-[4-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazine-1-carbonyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one

4-[3-chloro-5-methoxy-4-[4-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazine-1-carbonyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one (PubChem CID 169241729) has the molecular formula C38H43ClN8O5 and a molecular weight of 727.27 g/mol. Its IUPAC name is 4-[3-chloro-5-methoxy-4-[4-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazine-1-carbonyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

• Compound Name: 4-[3-chloro-5-methoxy-4-[4-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazine-1-carbonyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
• PubChem CID: 169241729
• Molecular Formula: C38H43ClN8O5
• Molecular Weight: 727.27 g/mol
• Exact Mass: 726.30
• IUPAC Name: 4-[3-chloro-5-methoxy-4-[4-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazine-1-carbonyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
• SMILES: C=C1CCC(Nc2ccc(C3CCN(CC(=O)N4CCN(C(=O)c5c(Cl)cc(-c6cn(C)c(=O)c7[nH]ncc67)cc5OC)CC4)CC3)cc2)C(=O)N1
• InChI: InChI=1S/C38H43ClN8O5/c1-23-4-9-31(36(49)41-23)42-27-7-5-24(6-8-27)25-10-12-45(13-11-25)22-33(48)46-14-16-47(17-15-46)37(50)34-30(39)18-26(19-32(34)52-3)29-21-44(2)38(51)35-28(29)20-40-43-35/h5-8,18-21,25,31,42H,1,4,9-17,22H2,2-3H3,(H,40,43)(H,41,49)
• InChIKey: DCYKGXKTVHGGDT-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 144.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	727.27
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-methoxy-4-[4-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazine-1-carbonyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one?

The IUPAC name of 4-[3-chloro-5-methoxy-4-[4-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazine-1-carbonyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one (CID 169241729) is 4-[3-chloro-5-methoxy-4-[4-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazine-1-carbonyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one.

What is the SMILES notation for 4-[3-chloro-5-methoxy-4-[4-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazine-1-carbonyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one?

The canonical SMILES for 4-[3-chloro-5-methoxy-4-[4-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazine-1-carbonyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one is C=C1CCC(Nc2ccc(C3CCN(CC(=O)N4CCN(C(=O)c5c(Cl)cc(-c6cn(C)c(=O)c7[nH]ncc67)cc5OC)CC4)CC3)cc2)C(=O)N1.

What is the InChIKey of 4-[3-chloro-5-methoxy-4-[4-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazine-1-carbonyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one?

The InChIKey is DCYKGXKTVHGGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43ClN8O5/c1-23-4-9-31(36(49)41-23)42-27-7-5-24(6-8-27)25-10-12-45(13-11-25)22-33(48)46-14-16-47(17-15-46)37(50)34-30(39)18-26(19-32(34)52-3)29-21-44(2)38(51)35-28(29)20-40-43-35/h5-8,18-21,25,31,42H,1,4,9-17,22H2,2-3H3,(H,40,43)(H,41,49).

What are the key properties of 4-[3-chloro-5-methoxy-4-[4-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazine-1-carbonyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one?

4-[3-chloro-5-methoxy-4-[4-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazine-1-carbonyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one has a molecular weight of 727.27 g/mol, XLogP of 3.96, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-chloro-5-methoxy-4-[4-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazine-1-carbonyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 169241729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).