2-[4-(1-thieno[3,2-b]pyridin-6-ylethylamino)pyrazol-1-yl]acetamide

C14H15N5OS — CID 64828610

IUPAC2-[4-(1-thieno[3,2-b]pyridin-6-ylethylamino)pyrazol-1-yl]acetamide
SMILESCC(Nc1cnn(CC(N)=O)c1)c1cnc2ccsc2c1
InChIInChI=1S/C14H15N5OS/c1-9(10-4-13-12(16-5-10)2-3-21-13)18-11-6-17-19(7-11)8-14(15)20/h2-7,9,18H,8H2,1H3,(H2,15,20)
InChIKeySKIOXAAUPOIDTQ-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.15
Rot. Bonds5

About 2-[4-(1-thieno[3,2-b]pyridin-6-ylethylamino)pyrazol-1-yl]acetamide

2-[4-(1-thieno[3,2-b]pyridin-6-ylethylamino)pyrazol-1-yl]acetamide (PubChem CID 64828610) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 2-[4-(1-thieno[3,2-b]pyridin-6-ylethylamino)pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(1-thieno[3,2-b]pyridin-6-ylethylamino)pyrazol-1-yl]acetamide
PubChem CID64828610
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name2-[4-(1-thieno[3,2-b]pyridin-6-ylethylamino)pyrazol-1-yl]acetamide
SMILESCC(Nc1cnn(CC(N)=O)c1)c1cnc2ccsc2c1
InChIInChI=1S/C14H15N5OS/c1-9(10-4-13-12(16-5-10)2-3-21-13)18-11-6-17-19(7-11)8-14(15)20/h2-7,9,18H,8H2,1H3,(H2,15,20)
InChIKeySKIOXAAUPOIDTQ-UHFFFAOYSA-N
XLogP2.15
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-thieno[3,2-b]pyridin-6-ylethylamino)pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-(1-thieno[3,2-b]pyridin-6-ylethylamino)pyrazol-1-yl]acetamide (CID 64828610) is 2-[4-(1-thieno[3,2-b]pyridin-6-ylethylamino)pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(1-thieno[3,2-b]pyridin-6-ylethylamino)pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-(1-thieno[3,2-b]pyridin-6-ylethylamino)pyrazol-1-yl]acetamide is CC(Nc1cnn(CC(N)=O)c1)c1cnc2ccsc2c1.
What is the InChIKey of 2-[4-(1-thieno[3,2-b]pyridin-6-ylethylamino)pyrazol-1-yl]acetamide?
The InChIKey is SKIOXAAUPOIDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-9(10-4-13-12(16-5-10)2-3-21-13)18-11-6-17-19(7-11)8-14(15)20/h2-7,9,18H,8H2,1H3,(H2,15,20).
What are the key properties of 2-[4-(1-thieno[3,2-b]pyridin-6-ylethylamino)pyrazol-1-yl]acetamide?
2-[4-(1-thieno[3,2-b]pyridin-6-ylethylamino)pyrazol-1-yl]acetamide has a molecular weight of 301.38 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-thieno[3,2-b]pyridin-6-ylethylamino)pyrazol-1-yl]acetamide is sourced from PubChem (CID 64828610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).