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

C24H25Cl2N7O3 — CID 129308453

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

N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-6-[2-(ethylamino)ethylamino]pyridine-3-carboxamide (PubChem CID 129308453) has the molecular formula C24H25Cl2N7O3 and a molecular weight of 530.42 g/mol. Its IUPAC name is N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-6-[2-(ethylamino)ethylamino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-6-[2-(ethylamino)ethylamino]pyridine-3-carboxamide
• PubChem CID: 129308453
• Molecular Formula: C24H25Cl2N7O3
• Molecular Weight: 530.42 g/mol
• Exact Mass: 529.14
• IUPAC Name: N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-6-[2-(ethylamino)ethylamino]pyridine-3-carboxamide
• SMILES: CCNCCNc1ccc(C(=O)Nc2n[nH]c3nc(-c4c(Cl)c(OC)cc(OC)c4Cl)ccc23)cn1
• InChI: InChI=1S/C24H25Cl2N7O3/c1-4-27-9-10-28-18-8-5-13(12-29-18)24(34)31-23-14-6-7-15(30-22(14)32-33-23)19-20(25)16(35-2)11-17(36-3)21(19)26/h5-8,11-12,27H,4,9-10H2,1-3H3,(H,28,29)(H2,30,31,32,33,34)
• InChIKey: ZOYAWIKLDVONHO-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 126.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.42
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

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-[2-(ethylamino)ethylamino]pyridine-3-carboxamide?

The IUPAC name of N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-6-[2-(ethylamino)ethylamino]pyridine-3-carboxamide (CID 129308453) is N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-6-[2-(ethylamino)ethylamino]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-[2-(ethylamino)ethylamino]pyridine-3-carboxamide?

The canonical SMILES for N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-6-[2-(ethylamino)ethylamino]pyridine-3-carboxamide is CCNCCNc1ccc(C(=O)Nc2n[nH]c3nc(-c4c(Cl)c(OC)cc(OC)c4Cl)ccc23)cn1.

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

The InChIKey is ZOYAWIKLDVONHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N7O3/c1-4-27-9-10-28-18-8-5-13(12-29-18)24(34)31-23-14-6-7-15(30-22(14)32-33-23)19-20(25)16(35-2)11-17(36-3)21(19)26/h5-8,11-12,27H,4,9-10H2,1-3H3,(H,28,29)(H2,30,31,32,33,34).

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

N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-6-[2-(ethylamino)ethylamino]pyridine-3-carboxamide has a molecular weight of 530.42 g/mol, XLogP of 4.62, 10 rotatable bonds, 4 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-[2-(ethylamino)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 129308453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).