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

C24H18FN5OS — CID 155521804

IUPACN-(3-fluorophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide
SMILESCc1cccc(-c2c(-c3cc4cnccc4s3)cnn2CC(=O)Nc2cccc(F)c2)n1
InChIInChI=1S/C24H18FN5OS/c1-15-4-2-7-20(28-15)24-19(22-10-16-12-26-9-8-21(16)32-22)13-27-30(24)14-23(31)29-18-6-3-5-17(25)11-18/h2-13H,14H2,1H3,(H,29,31)
InChIKeyLYULVWBYOQQPGO-UHFFFAOYSA-N
MW443.51 g/mol
LogP5.31
Rot. Bonds5

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

N-(3-fluorophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide (PubChem CID 155521804) has the molecular formula C24H18FN5OS and a molecular weight of 443.51 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide
PubChem CID155521804
Molecular FormulaC24H18FN5OS
Molecular Weight443.51 g/mol
Exact Mass443.12
IUPAC NameN-(3-fluorophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide
SMILESCc1cccc(-c2c(-c3cc4cnccc4s3)cnn2CC(=O)Nc2cccc(F)c2)n1
InChIInChI=1S/C24H18FN5OS/c1-15-4-2-7-20(28-15)24-19(22-10-16-12-26-9-8-21(16)32-22)13-27-30(24)14-23(31)29-18-6-3-5-17(25)11-18/h2-13H,14H2,1H3,(H,29,31)
InChIKeyLYULVWBYOQQPGO-UHFFFAOYSA-N
XLogP5.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.51
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide (CID 155521804) is N-(3-fluorophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide is Cc1cccc(-c2c(-c3cc4cnccc4s3)cnn2CC(=O)Nc2cccc(F)c2)n1.
What is the InChIKey of N-(3-fluorophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide?
The InChIKey is LYULVWBYOQQPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5OS/c1-15-4-2-7-20(28-15)24-19(22-10-16-12-26-9-8-21(16)32-22)13-27-30(24)14-23(31)29-18-6-3-5-17(25)11-18/h2-13H,14H2,1H3,(H,29,31).
What are the key properties of N-(3-fluorophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide?
N-(3-fluorophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide has a molecular weight of 443.51 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide is sourced from PubChem (CID 155521804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).