2-[4-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide

C25H31N5O3 — CID 55521546

IUPAC2-[4-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1cccn2cc(COc3ccc(C(=O)N4CCN(CC(=O)NC(C)C)CC4)cc3)nc12
InChIInChI=1S/C25H31N5O3/c1-18(2)26-23(31)16-28-11-13-29(14-12-28)25(32)20-6-8-22(9-7-20)33-17-21-15-30-10-4-5-19(3)24(30)27-21/h4-10,15,18H,11-14,16-17H2,1-3H3,(H,26,31)
InChIKeyYDFRJZRXULUKTH-UHFFFAOYSA-N
MW449.56 g/mol
LogP2.50
Rot. Bonds7

About 2-[4-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 55521546) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 2-[4-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID55521546
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name2-[4-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1cccn2cc(COc3ccc(C(=O)N4CCN(CC(=O)NC(C)C)CC4)cc3)nc12
InChIInChI=1S/C25H31N5O3/c1-18(2)26-23(31)16-28-11-13-29(14-12-28)25(32)20-6-8-22(9-7-20)33-17-21-15-30-10-4-5-19(3)24(30)27-21/h4-10,15,18H,11-14,16-17H2,1-3H3,(H,26,31)
InChIKeyYDFRJZRXULUKTH-UHFFFAOYSA-N
XLogP2.50
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 55521546) is 2-[4-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide is Cc1cccn2cc(COc3ccc(C(=O)N4CCN(CC(=O)NC(C)C)CC4)cc3)nc12.
What is the InChIKey of 2-[4-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is YDFRJZRXULUKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-18(2)26-23(31)16-28-11-13-29(14-12-28)25(32)20-6-8-22(9-7-20)33-17-21-15-30-10-4-5-19(3)24(30)27-21/h4-10,15,18H,11-14,16-17H2,1-3H3,(H,26,31).
What are the key properties of 2-[4-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 449.56 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 55521546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).