(E)-3-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide

C23H26N4O3 — CID 11951456

IUPAC(E)-3-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCC1CN(Cc2c(-c3ccccc3)nc3cc(/C=C/C(=O)NO)ccn23)CC(C)O1
InChIInChI=1S/C23H26N4O3/c1-16-13-26(14-17(2)30-16)15-20-23(19-6-4-3-5-7-19)24-21-12-18(10-11-27(20)21)8-9-22(28)25-29/h3-12,16-17,29H,13-15H2,1-2H3,(H,25,28)/b9-8+
InChIKeyXDVMGGPRPCCMQN-CMDGGOBGSA-N
MW406.49 g/mol
LogP3.13
Rot. Bonds5

About (E)-3-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide

(E)-3-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (PubChem CID 11951456) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is (E)-3-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
PubChem CID11951456
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name(E)-3-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCC1CN(Cc2c(-c3ccccc3)nc3cc(/C=C/C(=O)NO)ccn23)CC(C)O1
InChIInChI=1S/C23H26N4O3/c1-16-13-26(14-17(2)30-16)15-20-23(19-6-4-3-5-7-19)24-21-12-18(10-11-27(20)21)8-9-22(28)25-29/h3-12,16-17,29H,13-15H2,1-2H3,(H,25,28)/b9-8+
InChIKeyXDVMGGPRPCCMQN-CMDGGOBGSA-N
XLogP3.13
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (CID 11951456) is (E)-3-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is CC1CN(Cc2c(-c3ccccc3)nc3cc(/C=C/C(=O)NO)ccn23)CC(C)O1.
What is the InChIKey of (E)-3-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The InChIKey is XDVMGGPRPCCMQN-CMDGGOBGSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-16-13-26(14-17(2)30-16)15-20-23(19-6-4-3-5-7-19)24-21-12-18(10-11-27(20)21)8-9-22(28)25-29/h3-12,16-17,29H,13-15H2,1-2H3,(H,25,28)/b9-8+.
What are the key properties of (E)-3-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
(E)-3-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide has a molecular weight of 406.49 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 11951456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).