2-[5-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide

C24H19N5OS — CID 155557094

IUPAC2-[5-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide
SMILESCc1cccc(-c2c(-c3cc4cnccc4s3)cnn2CC(=O)Nc2ccccc2)n1
InChIInChI=1S/C24H19N5OS/c1-16-6-5-9-20(27-16)24-19(22-12-17-13-25-11-10-21(17)31-22)14-26-29(24)15-23(30)28-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,28,30)
InChIKeyZNGOLIHKEDJLJI-UHFFFAOYSA-N
MW425.52 g/mol
LogP5.17
Rot. Bonds5

About 2-[5-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide

2-[5-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide (PubChem CID 155557094) has the molecular formula C24H19N5OS and a molecular weight of 425.52 g/mol. Its IUPAC name is 2-[5-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide
PubChem CID155557094
Molecular FormulaC24H19N5OS
Molecular Weight425.52 g/mol
Exact Mass425.13
IUPAC Name2-[5-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide
SMILESCc1cccc(-c2c(-c3cc4cnccc4s3)cnn2CC(=O)Nc2ccccc2)n1
InChIInChI=1S/C24H19N5OS/c1-16-6-5-9-20(27-16)24-19(22-12-17-13-25-11-10-21(17)31-22)14-26-29(24)15-23(30)28-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,28,30)
InChIKeyZNGOLIHKEDJLJI-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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Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[5-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide (CID 155557094) is 2-[5-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[5-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[5-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide is Cc1cccc(-c2c(-c3cc4cnccc4s3)cnn2CC(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-[5-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide?
The InChIKey is ZNGOLIHKEDJLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5OS/c1-16-6-5-9-20(27-16)24-19(22-12-17-13-25-11-10-21(17)31-22)14-26-29(24)15-23(30)28-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,28,30).
What are the key properties of 2-[5-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide?
2-[5-(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-[5-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 155557094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).