2-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-methoxyphenyl]-2-thiophen-2-ylacetamide

C34H33N7O3S — CID 69191649

About 2-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-methoxyphenyl]-2-thiophen-2-ylacetamide

2-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-methoxyphenyl]-2-thiophen-2-ylacetamide (PubChem CID 69191649) has the molecular formula C34H33N7O3S and a molecular weight of 619.75 g/mol. Its IUPAC name is 2-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-methoxyphenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-methoxyphenyl]-2-thiophen-2-ylacetamide
• PubChem CID: 69191649
• Molecular Formula: C34H33N7O3S
• Molecular Weight: 619.75 g/mol
• Exact Mass: 619.24
• IUPAC Name: 2-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-methoxyphenyl]-2-thiophen-2-ylacetamide
• SMILES: COc1ccc(-c2nn3ccccc3c2-c2ccnc(Nc3cccc(OCCN(C)C)c3)n2)cc1C(C(N)=O)c1cccs1
• InChI: InChI=1S/C34H33N7O3S/c1-40(2)17-18-44-24-9-6-8-23(21-24)37-34-36-15-14-26(38-34)31-27-10-4-5-16-41(27)39-32(31)22-12-13-28(43-3)25(20-22)30(33(35)42)29-11-7-19-45-29/h4-16,19-21,30H,17-18H2,1-3H3,(H2,35,42)(H,36,37,38)
• InChIKey: JUZLPTVMQQSVNE-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 119.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.75
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-methoxyphenyl]-2-thiophen-2-ylacetamide?

The IUPAC name of 2-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-methoxyphenyl]-2-thiophen-2-ylacetamide (CID 69191649) is 2-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-methoxyphenyl]-2-thiophen-2-ylacetamide.

What is the SMILES notation for 2-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-methoxyphenyl]-2-thiophen-2-ylacetamide?

The canonical SMILES for 2-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-methoxyphenyl]-2-thiophen-2-ylacetamide is COc1ccc(-c2nn3ccccc3c2-c2ccnc(Nc3cccc(OCCN(C)C)c3)n2)cc1C(C(N)=O)c1cccs1.

What is the InChIKey of 2-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-methoxyphenyl]-2-thiophen-2-ylacetamide?

The InChIKey is JUZLPTVMQQSVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N7O3S/c1-40(2)17-18-44-24-9-6-8-23(21-24)37-34-36-15-14-26(38-34)31-27-10-4-5-16-41(27)39-32(31)22-12-13-28(43-3)25(20-22)30(33(35)42)29-11-7-19-45-29/h4-16,19-21,30H,17-18H2,1-3H3,(H2,35,42)(H,36,37,38).

What are the key properties of 2-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-methoxyphenyl]-2-thiophen-2-ylacetamide?

2-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-methoxyphenyl]-2-thiophen-2-ylacetamide has a molecular weight of 619.75 g/mol, XLogP of 5.83, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-methoxyphenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 69191649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).