N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

C25H25Cl2N7O3 — CID 118893324

About N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 118893324) has the molecular formula C25H25Cl2N7O3 and a molecular weight of 542.43 g/mol. Its IUPAC name is N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
• PubChem CID: 118893324
• Molecular Formula: C25H25Cl2N7O3
• Molecular Weight: 542.43 g/mol
• Exact Mass: 541.14
• IUPAC Name: N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
• SMILES: COc1cc(OC)c(Cl)c(-c2ccc3c(NC(=O)c4ccc(N5CCN(C)CC5)nc4)n[nH]c3n2)c1Cl
• InChI: InChI=1S/C25H25Cl2N7O3/c1-33-8-10-34(11-9-33)19-7-4-14(13-28-19)25(35)30-24-15-5-6-16(29-23(15)31-32-24)20-21(26)17(36-2)12-18(37-3)22(20)27/h4-7,12-13H,8-11H2,1-3H3,(H2,29,30,31,32,35)
• InChIKey: ITECWNTVEPMLLL-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 108.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.43
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide (CID 118893324) is N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide is COc1cc(OC)c(Cl)c(-c2ccc3c(NC(=O)c4ccc(N5CCN(C)CC5)nc4)n[nH]c3n2)c1Cl.

What is the InChIKey of N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?

The InChIKey is ITECWNTVEPMLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N7O3/c1-33-8-10-34(11-9-33)19-7-4-14(13-28-19)25(35)30-24-15-5-6-16(29-23(15)31-32-24)20-21(26)17(36-2)12-18(37-3)22(20)27/h4-7,12-13H,8-11H2,1-3H3,(H2,29,30,31,32,35).

What are the key properties of N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?

N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 542.43 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 118893324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).