2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide

C24H19N5OS — CID 155553747

IUPAC2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide
SMILESCc1cccc(-c2nn(CC(=O)Nc3ccccc3)cc2-c2cc3cnccc3s2)n1
InChIInChI=1S/C24H19N5OS/c1-16-6-5-9-20(26-16)24-19(22-12-17-13-25-11-10-21(17)31-22)14-29(28-24)15-23(30)27-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,27,30)
InChIKeyYVABZJGVIULAAE-UHFFFAOYSA-N
MW425.52 g/mol
LogP5.17
Rot. Bonds5

About 2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide

2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide (PubChem CID 155553747) has the molecular formula C24H19N5OS and a molecular weight of 425.52 g/mol. Its IUPAC name is 2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide
PubChem CID155553747
Molecular FormulaC24H19N5OS
Molecular Weight425.52 g/mol
Exact Mass425.13
IUPAC Name2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide
SMILESCc1cccc(-c2nn(CC(=O)Nc3ccccc3)cc2-c2cc3cnccc3s2)n1
InChIInChI=1S/C24H19N5OS/c1-16-6-5-9-20(26-16)24-19(22-12-17-13-25-11-10-21(17)31-22)14-29(28-24)15-23(30)27-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,27,30)
InChIKeyYVABZJGVIULAAE-UHFFFAOYSA-N
XLogP5.17
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.52
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide (CID 155553747) is 2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide is Cc1cccc(-c2nn(CC(=O)Nc3ccccc3)cc2-c2cc3cnccc3s2)n1.
What is the InChIKey of 2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide?
The InChIKey is YVABZJGVIULAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5OS/c1-16-6-5-9-20(26-16)24-19(22-12-17-13-25-11-10-21(17)31-22)14-29(28-24)15-23(30)27-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,27,30).
What are the key properties of 2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide?
2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide has a molecular weight of 425.52 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 155553747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).