3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide

C27H28N4O3 — CID 134009668

IUPAC3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C27H28N4O3/c1-29(18-21-8-10-24(11-9-21)30-13-15-33-16-14-30)27(32)22-5-4-6-25(17-22)34-20-23-19-31-12-3-2-7-26(31)28-23/h2-12,17,19H,13-16,18,20H2,1H3
InChIKeyQNGKYDYGFROHDC-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.02
Rot. Bonds7

About 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide

3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide (PubChem CID 134009668) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
PubChem CID134009668
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC Name3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C27H28N4O3/c1-29(18-21-8-10-24(11-9-21)30-13-15-33-16-14-30)27(32)22-5-4-6-25(17-22)34-20-23-19-31-12-3-2-7-26(31)28-23/h2-12,17,19H,13-16,18,20H2,1H3
InChIKeyQNGKYDYGFROHDC-UHFFFAOYSA-N
XLogP4.02
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 134037122
N-[(4-fluorophenyl)methyl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 55512005
tert-butyl 2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-methylamino]acetate
CID 52842387
N-[(3-fluorophenyl)methyl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 78836551
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 7063876
ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 112788039
N-(4-ethylphenyl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 24542057
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
CID 120659116
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-piperidin-4-yl-N-propylbenzamide
CID 119824790
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 55457399
4-(diethylaminomethyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530632
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-pentylbenzamide
CID 134009641

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
The IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide (CID 134009668) is 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide.
What is the SMILES notation for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
The canonical SMILES for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide is CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(OCc2cn3ccccc3n2)c1.
What is the InChIKey of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
The InChIKey is QNGKYDYGFROHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-29(18-21-8-10-24(11-9-21)30-13-15-33-16-14-30)27(32)22-5-4-6-25(17-22)34-20-23-19-31-12-3-2-7-26(31)28-23/h2-12,17,19H,13-16,18,20H2,1H3.
What are the key properties of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide has a molecular weight of 456.55 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide is sourced from PubChem (CID 134009668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).