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

C24H24Cl2N8O3 — CID 141462252

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

N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide (PubChem CID 141462252) has the molecular formula C24H24Cl2N8O3 and a molecular weight of 543.42 g/mol. Its IUPAC name is N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
• PubChem CID: 141462252
• Molecular Formula: C24H24Cl2N8O3
• Molecular Weight: 543.42 g/mol
• Exact Mass: 542.13
• IUPAC Name: N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
• SMILES: COc1cc(OC)c(Cl)c(-c2ccc3c(NC(=O)c4cnc(N5CCN(C)CC5)cn4)n[nH]c3n2)c1Cl
• InChI: InChI=1S/C24H24Cl2N8O3/c1-33-6-8-34(9-7-33)18-12-27-15(11-28-18)24(35)30-23-13-4-5-14(29-22(13)31-32-23)19-20(25)16(36-2)10-17(37-3)21(19)26/h4-5,10-12H,6-9H2,1-3H3,(H2,29,30,31,32,35)
• InChIKey: CZAKQSOTZKZSPI-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 121.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.42
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?

The IUPAC name of N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide (CID 141462252) is N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide.

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

The canonical SMILES for N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide is COc1cc(OC)c(Cl)c(-c2ccc3c(NC(=O)c4cnc(N5CCN(C)CC5)cn4)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]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?

The InChIKey is CZAKQSOTZKZSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N8O3/c1-33-6-8-34(9-7-33)18-12-27-15(11-28-18)24(35)30-23-13-4-5-14(29-22(13)31-32-23)19-20(25)16(36-2)10-17(37-3)21(19)26/h4-5,10-12H,6-9H2,1-3H3,(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]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?

N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide has a molecular weight of 543.42 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 9 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]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 141462252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).