[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone

C26H22ClN7O2 — CID 121309825

IUPAC[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ncon4)cn23)CC1
InChIInChI=1S/C26H22ClN7O2/c27-21-4-1-18(2-5-21)24-22(34-15-20(3-6-23(34)30-24)25-29-17-36-31-25)16-32-11-13-33(14-12-32)26(35)19-7-9-28-10-8-19/h1-10,15,17H,11-14,16H2
InChIKeyMTFYADVOIDCHIY-UHFFFAOYSA-N
MW499.96 g/mol
LogP4.06
Rot. Bonds5

About [4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone

[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone (PubChem CID 121309825) has the molecular formula C26H22ClN7O2 and a molecular weight of 499.96 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone
PubChem CID121309825
Molecular FormulaC26H22ClN7O2
Molecular Weight499.96 g/mol
Exact Mass499.15
IUPAC Name[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ncon4)cn23)CC1
InChIInChI=1S/C26H22ClN7O2/c27-21-4-1-18(2-5-21)24-22(34-15-20(3-6-23(34)30-24)25-29-17-36-31-25)16-32-11-13-33(14-12-32)26(35)19-7-9-28-10-8-19/h1-10,15,17H,11-14,16H2
InChIKeyMTFYADVOIDCHIY-UHFFFAOYSA-N
XLogP4.06
TPSA92.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.96
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone with MolForge

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Related Compounds

[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 121309812
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone
CID 121309759
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 121309789
4-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]benzonitrile
CID 121309937
[4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 91635942
[4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 83276239
2-[2-(4-chlorophenyl)-3-[[4-(pyrazine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile
CID 121309767
[4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 83290300
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 121309682
6-chloro-3-(piperazin-1-ylmethyl)-2-pyridin-4-ylimidazo[1,2-a]pyridine
CID 39148253
[4-[[6-(3-chlorophenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone
CID 83279108
1-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2757434

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone (CID 121309825) is [4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ncon4)cn23)CC1.
What is the InChIKey of [4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is MTFYADVOIDCHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN7O2/c27-21-4-1-18(2-5-21)24-22(34-15-20(3-6-23(34)30-24)25-29-17-36-31-25)16-32-11-13-33(14-12-32)26(35)19-7-9-28-10-8-19/h1-10,15,17H,11-14,16H2.
What are the key properties of [4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone?
[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 499.96 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 121309825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).