N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetamide

C22H25ClN4O3 — CID 135335223

IUPACN-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetamide
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCC(NC(C)=O)CC4)cc3n2)cc1Cl
InChIInChI=1S/C22H25ClN4O3/c1-14(28)24-15-4-7-26(8-5-15)16-6-9-27-13-19(25-22(27)10-16)17-11-18(23)21(30-3)12-20(17)29-2/h6,9-13,15H,4-5,7-8H2,1-3H3,(H,24,28)
InChIKeyHGAOWWLSDOSEDH-UHFFFAOYSA-N
MW428.92 g/mol
LogP3.78
Rot. Bonds5

About N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetamide

N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetamide (PubChem CID 135335223) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetamide
PubChem CID135335223
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC NameN-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetamide
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCC(NC(C)=O)CC4)cc3n2)cc1Cl
InChIInChI=1S/C22H25ClN4O3/c1-14(28)24-15-4-7-26(8-5-15)16-6-9-27-13-19(25-22(27)10-16)17-11-18(23)21(30-3)12-20(17)29-2/h6,9-13,15H,4-5,7-8H2,1-3H3,(H,24,28)
InChIKeyHGAOWWLSDOSEDH-UHFFFAOYSA-N
XLogP3.78
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetamide (CID 135335223) is N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetamide is COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(C)=O)CC4)cc3n2)cc1Cl.
What is the InChIKey of N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetamide?
The InChIKey is HGAOWWLSDOSEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-14(28)24-15-4-7-26(8-5-15)16-6-9-27-13-19(25-22(27)10-16)17-11-18(23)21(30-3)12-20(17)29-2/h6,9-13,15H,4-5,7-8H2,1-3H3,(H,24,28).
What are the key properties of N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetamide?
N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetamide has a molecular weight of 428.92 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 135335223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).