1-[4-[7-(aminomethyl)-6-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone

C21H24ClN5O3 — CID 143550723

IUPAC1-[4-[7-(aminomethyl)-6-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(c2cnc3cc(CN)c(-c4ccc(O)cc4Cl)cn23)CC1
InChIInChI=1S/C21H24ClN5O3/c1-30-13-21(29)26-6-4-25(5-7-26)20-11-24-19-8-14(10-23)17(12-27(19)20)16-3-2-15(28)9-18(16)22/h2-3,8-9,11-12,28H,4-7,10,13,23H2,1H3
InChIKeyDPFSXLCRKWDJNK-UHFFFAOYSA-N
MW429.91 g/mol
LogP2.11
Rot. Bonds5

About 1-[4-[7-(aminomethyl)-6-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone

1-[4-[7-(aminomethyl)-6-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone (PubChem CID 143550723) has the molecular formula C21H24ClN5O3 and a molecular weight of 429.91 g/mol. Its IUPAC name is 1-[4-[7-(aminomethyl)-6-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[7-(aminomethyl)-6-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone
PubChem CID143550723
Molecular FormulaC21H24ClN5O3
Molecular Weight429.91 g/mol
Exact Mass429.16
IUPAC Name1-[4-[7-(aminomethyl)-6-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(c2cnc3cc(CN)c(-c4ccc(O)cc4Cl)cn23)CC1
InChIInChI=1S/C21H24ClN5O3/c1-30-13-21(29)26-6-4-25(5-7-26)20-11-24-19-8-14(10-23)17(12-27(19)20)16-3-2-15(28)9-18(16)22/h2-3,8-9,11-12,28H,4-7,10,13,23H2,1H3
InChIKeyDPFSXLCRKWDJNK-UHFFFAOYSA-N
XLogP2.11
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.91
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carbonyl]piperidin-1-yl]ethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone
CID 157395200
1-[4-[7-(aminomethyl)-6-(2-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]pentan-1-one
CID 143550753
1-[4-[7-(aminomethyl)-6-(2-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]pentan-1-one;ethane
CID 143550752
1-[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylpiperidin-4-amine
CID 70312257
[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-thiomorpholin-4-ylmethanone;ethyl 4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate
CID 160806080
1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxyethanone
CID 60968764
[6-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine
CID 143550682
1-[4-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperazin-1-yl]-2-methoxyethanone
CID 108535690
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-methoxyethanone
CID 108536476
6-[4-(2-methoxyacetyl)piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 53010421
1-[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]-2-methoxyethanone
CID 82533865

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-(aminomethyl)-6-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[7-(aminomethyl)-6-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone (CID 143550723) is 1-[4-[7-(aminomethyl)-6-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[7-(aminomethyl)-6-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[7-(aminomethyl)-6-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(c2cnc3cc(CN)c(-c4ccc(O)cc4Cl)cn23)CC1.
What is the InChIKey of 1-[4-[7-(aminomethyl)-6-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone?
The InChIKey is DPFSXLCRKWDJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O3/c1-30-13-21(29)26-6-4-25(5-7-26)20-11-24-19-8-14(10-23)17(12-27(19)20)16-3-2-15(28)9-18(16)22/h2-3,8-9,11-12,28H,4-7,10,13,23H2,1H3.
What are the key properties of 1-[4-[7-(aminomethyl)-6-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone?
1-[4-[7-(aminomethyl)-6-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone has a molecular weight of 429.91 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-(aminomethyl)-6-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 143550723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).