N-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]-2-oxochromene-3-carboxamide

C23H16N4O3 — CID 16815201

IUPACN-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]-2-oxochromene-3-carboxamide
SMILESCc1ccc(-c2nc3ncccn3c2NC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C23H16N4O3/c1-14-7-9-15(10-8-14)19-20(27-12-4-11-24-23(27)25-19)26-21(28)17-13-16-5-2-3-6-18(16)30-22(17)29/h2-13H,1H3,(H,26,28)
InChIKeyDBDJNGFNJKKGPE-UHFFFAOYSA-N
MW396.41 g/mol
LogP4.06
Rot. Bonds3

About N-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]-2-oxochromene-3-carboxamide

N-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]-2-oxochromene-3-carboxamide (PubChem CID 16815201) has the molecular formula C23H16N4O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]-2-oxochromene-3-carboxamide
PubChem CID16815201
Molecular FormulaC23H16N4O3
Molecular Weight396.41 g/mol
Exact Mass396.12
IUPAC NameN-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]-2-oxochromene-3-carboxamide
SMILESCc1ccc(-c2nc3ncccn3c2NC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C23H16N4O3/c1-14-7-9-15(10-8-14)19-20(27-12-4-11-24-23(27)25-19)26-21(28)17-13-16-5-2-3-6-18(16)30-22(17)29/h2-13H,1H3,(H,26,28)
InChIKeyDBDJNGFNJKKGPE-UHFFFAOYSA-N
XLogP4.06
TPSA89.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]-2-oxochromene-3-carboxamide (CID 16815201) is N-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]-2-oxochromene-3-carboxamide is Cc1ccc(-c2nc3ncccn3c2NC(=O)c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]-2-oxochromene-3-carboxamide?
The InChIKey is DBDJNGFNJKKGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O3/c1-14-7-9-15(10-8-14)19-20(27-12-4-11-24-23(27)25-19)26-21(28)17-13-16-5-2-3-6-18(16)30-22(17)29/h2-13H,1H3,(H,26,28).
What are the key properties of N-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]-2-oxochromene-3-carboxamide?
N-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]-2-oxochromene-3-carboxamide has a molecular weight of 396.41 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 16815201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).