N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]amino]ethyl]acetamide

C23H28ClN5O4 — CID 135335292

IUPACN-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]amino]ethyl]acetamide
SMILESCOc1cc(OC)c(-c2cn3cc(NCCNC(C)=O)c(N4CCOCC4)cc3n2)cc1Cl
InChIInChI=1S/C23H28ClN5O4/c1-15(30)25-4-5-26-19-14-29-13-18(16-10-17(24)22(32-3)12-21(16)31-2)27-23(29)11-20(19)28-6-8-33-9-7-28/h10-14,26H,4-9H2,1-3H3,(H,25,30)
InChIKeyOIWTVPDUCJWHEJ-UHFFFAOYSA-N
MW473.96 g/mol
LogP3.06
Rot. Bonds8

About N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]amino]ethyl]acetamide

N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]amino]ethyl]acetamide (PubChem CID 135335292) has the molecular formula C23H28ClN5O4 and a molecular weight of 473.96 g/mol. Its IUPAC name is N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]amino]ethyl]acetamide
PubChem CID135335292
Molecular FormulaC23H28ClN5O4
Molecular Weight473.96 g/mol
Exact Mass473.18
IUPAC NameN-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]amino]ethyl]acetamide
SMILESCOc1cc(OC)c(-c2cn3cc(NCCNC(C)=O)c(N4CCOCC4)cc3n2)cc1Cl
InChIInChI=1S/C23H28ClN5O4/c1-15(30)25-4-5-26-19-14-29-13-18(16-10-17(24)22(32-3)12-21(16)31-2)27-23(29)11-20(19)28-6-8-33-9-7-28/h10-14,26H,4-9H2,1-3H3,(H,25,30)
InChIKeyOIWTVPDUCJWHEJ-UHFFFAOYSA-N
XLogP3.06
TPSA89.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.96
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]amino]ethyl]acetamide (CID 135335292) is N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]amino]ethyl]acetamide is COc1cc(OC)c(-c2cn3cc(NCCNC(C)=O)c(N4CCOCC4)cc3n2)cc1Cl.
What is the InChIKey of N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]amino]ethyl]acetamide?
The InChIKey is OIWTVPDUCJWHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O4/c1-15(30)25-4-5-26-19-14-29-13-18(16-10-17(24)22(32-3)12-21(16)31-2)27-23(29)11-20(19)28-6-8-33-9-7-28/h10-14,26H,4-9H2,1-3H3,(H,25,30).
What are the key properties of N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]amino]ethyl]acetamide?
N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]amino]ethyl]acetamide has a molecular weight of 473.96 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]amino]ethyl]acetamide is sourced from PubChem (CID 135335292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).