2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C15H16BrN7OS — CID 46867945

IUPAC2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCN(c2c(Br)cnc3nc[nH]c23)CC1)Nc1nccs1
InChIInChI=1S/C15H16BrN7OS/c16-10-7-18-14-12(19-9-20-14)13(10)23-4-2-22(3-5-23)8-11(24)21-15-17-1-6-25-15/h1,6-7,9H,2-5,8H2,(H,17,21,24)(H,18,19,20)
InChIKeyKHNWPAGJZMTRNT-UHFFFAOYSA-N
MW422.31 g/mol
LogP1.94
Rot. Bonds4

About 2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 46867945) has the molecular formula C15H16BrN7OS and a molecular weight of 422.31 g/mol. Its IUPAC name is 2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID46867945
Molecular FormulaC15H16BrN7OS
Molecular Weight422.31 g/mol
Exact Mass421.03
IUPAC Name2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCN(c2c(Br)cnc3nc[nH]c23)CC1)Nc1nccs1
InChIInChI=1S/C15H16BrN7OS/c16-10-7-18-14-12(19-9-20-14)13(10)23-4-2-22(3-5-23)8-11(24)21-15-17-1-6-25-15/h1,6-7,9H,2-5,8H2,(H,17,21,24)(H,18,19,20)
InChIKeyKHNWPAGJZMTRNT-UHFFFAOYSA-N
XLogP1.94
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 46867945) is 2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CN1CCN(c2c(Br)cnc3nc[nH]c23)CC1)Nc1nccs1.
What is the InChIKey of 2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is KHNWPAGJZMTRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN7OS/c16-10-7-18-14-12(19-9-20-14)13(10)23-4-2-22(3-5-23)8-11(24)21-15-17-1-6-25-15/h1,6-7,9H,2-5,8H2,(H,17,21,24)(H,18,19,20).
What are the key properties of 2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 422.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 46867945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).