N-[3-(3-acetylphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide

C27H24N4O4 — CID 46942885

IUPACN-[3-(3-acetylphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide
SMILESCC(=O)c1cccc(-c2cnc3c(NC=O)cc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)c1
InChIInChI=1S/C27H24N4O4/c1-18(33)21-3-2-4-22(13-21)25-15-28-26-24(29-17-32)14-23(16-31(25)26)19-5-7-20(8-6-19)27(34)30-9-11-35-12-10-30/h2-8,13-17H,9-12H2,1H3,(H,29,32)
InChIKeyBJCSIBFOTWIICX-UHFFFAOYSA-N
MW468.51 g/mol
LogP3.91
Rot. Bonds6

About N-[3-(3-acetylphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide

N-[3-(3-acetylphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide (PubChem CID 46942885) has the molecular formula C27H24N4O4 and a molecular weight of 468.51 g/mol. Its IUPAC name is N-[3-(3-acetylphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide.

Molecular Properties

Compound NameN-[3-(3-acetylphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide
PubChem CID46942885
Molecular FormulaC27H24N4O4
Molecular Weight468.51 g/mol
Exact Mass468.18
IUPAC NameN-[3-(3-acetylphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide
SMILESCC(=O)c1cccc(-c2cnc3c(NC=O)cc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)c1
InChIInChI=1S/C27H24N4O4/c1-18(33)21-3-2-4-22(13-21)25-15-28-26-24(29-17-32)14-23(16-31(25)26)19-5-7-20(8-6-19)27(34)30-9-11-35-12-10-30/h2-8,13-17H,9-12H2,1H3,(H,29,32)
InChIKeyBJCSIBFOTWIICX-UHFFFAOYSA-N
XLogP3.91
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-acetylphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide?
The IUPAC name of N-[3-(3-acetylphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide (CID 46942885) is N-[3-(3-acetylphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide.
What is the SMILES notation for N-[3-(3-acetylphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide?
The canonical SMILES for N-[3-(3-acetylphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide is CC(=O)c1cccc(-c2cnc3c(NC=O)cc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)c1.
What is the InChIKey of N-[3-(3-acetylphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide?
The InChIKey is BJCSIBFOTWIICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O4/c1-18(33)21-3-2-4-22(13-21)25-15-28-26-24(29-17-32)14-23(16-31(25)26)19-5-7-20(8-6-19)27(34)30-9-11-35-12-10-30/h2-8,13-17H,9-12H2,1H3,(H,29,32).
What are the key properties of N-[3-(3-acetylphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide?
N-[3-(3-acetylphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide has a molecular weight of 468.51 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-acetylphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide is sourced from PubChem (CID 46942885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).