3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrobenzamide

C25H23N5O4 — CID 59321053

IUPAC3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrobenzamide
SMILESNC(=O)c1cc(-c2cnc3cc(-c4cccc(CN5CCOCC5)c4)ccn23)cc([N+](=O)[O-])c1
InChIInChI=1S/C25H23N5O4/c26-25(31)21-11-20(12-22(13-21)30(32)33)23-15-27-24-14-19(4-5-29(23)24)18-3-1-2-17(10-18)16-28-6-8-34-9-7-28/h1-5,10-15H,6-9,16H2,(H2,26,31)
InChIKeyNDWAMTSSNQPHLA-UHFFFAOYSA-N
MW457.49 g/mol
LogP3.51
Rot. Bonds6

About 3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrobenzamide

3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrobenzamide (PubChem CID 59321053) has the molecular formula C25H23N5O4 and a molecular weight of 457.49 g/mol. Its IUPAC name is 3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrobenzamide.

Molecular Properties

Compound Name3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrobenzamide
PubChem CID59321053
Molecular FormulaC25H23N5O4
Molecular Weight457.49 g/mol
Exact Mass457.18
IUPAC Name3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrobenzamide
SMILESNC(=O)c1cc(-c2cnc3cc(-c4cccc(CN5CCOCC5)c4)ccn23)cc([N+](=O)[O-])c1
InChIInChI=1S/C25H23N5O4/c26-25(31)21-11-20(12-22(13-21)30(32)33)23-15-27-24-14-19(4-5-29(23)24)18-3-1-2-17(10-18)16-28-6-8-34-9-7-28/h1-5,10-15H,6-9,16H2,(H2,26,31)
InChIKeyNDWAMTSSNQPHLA-UHFFFAOYSA-N
XLogP3.51
TPSA116.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrosobenzamide
CID 89070585
[ethyl-[[3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]carbamoyl]amino] formate
CID 87510232
1-ethyl-3-[3-[7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea
CID 59321072
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731
[ethyl-[[3-[7-[3-(3-morpholin-4-ylpropyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]carbamoyl]amino] formate
CID 87510153
5-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrimidin-2-one
CID 56857435
(2R)-2-[4-[3-(morpholin-4-ylmethyl)phenyl]pyrazol-1-yl]propanamide
CID 126426099
N-[4-(morpholin-4-ylmethyl)phenyl]-6-(3-nitrophenyl)pyridazin-3-amine
CID 108773204
5-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxylic acid
CID 56716837
[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 39226421
3-[1-(2-chlorophenyl)ethoxy]-5-[7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
CID 67436124
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032

Frequently Asked Questions

What is the IUPAC name of 3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrobenzamide?
The IUPAC name of 3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrobenzamide (CID 59321053) is 3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrobenzamide.
What is the SMILES notation for 3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrobenzamide?
The canonical SMILES for 3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrobenzamide is NC(=O)c1cc(-c2cnc3cc(-c4cccc(CN5CCOCC5)c4)ccn23)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrobenzamide?
The InChIKey is NDWAMTSSNQPHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O4/c26-25(31)21-11-20(12-22(13-21)30(32)33)23-15-27-24-14-19(4-5-29(23)24)18-3-1-2-17(10-18)16-28-6-8-34-9-7-28/h1-5,10-15H,6-9,16H2,(H2,26,31).
What are the key properties of 3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrobenzamide?
3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrobenzamide has a molecular weight of 457.49 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrobenzamide is sourced from PubChem (CID 59321053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).