1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-nitropyridin-4-one

C14H12N4O3 — CID 71970710

IUPAC1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-nitropyridin-4-one
SMILESCc1cccc2nc(Cn3ccc(=O)c([N+](=O)[O-])c3)cn12
InChIInChI=1S/C14H12N4O3/c1-10-3-2-4-14-15-11(8-17(10)14)7-16-6-5-13(19)12(9-16)18(20)21/h2-6,8-9H,7H2,1H3
InChIKeyWUUBFTJEBZTXBO-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.76
Rot. Bonds3

About 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-nitropyridin-4-one

1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-nitropyridin-4-one (PubChem CID 71970710) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-nitropyridin-4-one.

Molecular Properties

Compound Name1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-nitropyridin-4-one
PubChem CID71970710
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-nitropyridin-4-one
SMILESCc1cccc2nc(Cn3ccc(=O)c([N+](=O)[O-])c3)cn12
InChIInChI=1S/C14H12N4O3/c1-10-3-2-4-14-15-11(8-17(10)14)7-16-6-5-13(19)12(9-16)18(20)21/h2-6,8-9H,7H2,1H3
InChIKeyWUUBFTJEBZTXBO-UHFFFAOYSA-N
XLogP1.76
TPSA82.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-nitropyridin-4-one?
The IUPAC name of 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-nitropyridin-4-one (CID 71970710) is 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-nitropyridin-4-one.
What is the SMILES notation for 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-nitropyridin-4-one?
The canonical SMILES for 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-nitropyridin-4-one is Cc1cccc2nc(Cn3ccc(=O)c([N+](=O)[O-])c3)cn12.
What is the InChIKey of 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-nitropyridin-4-one?
The InChIKey is WUUBFTJEBZTXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-10-3-2-4-14-15-11(8-17(10)14)7-16-6-5-13(19)12(9-16)18(20)21/h2-6,8-9H,7H2,1H3.
What are the key properties of 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-nitropyridin-4-one?
1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-nitropyridin-4-one has a molecular weight of 284.28 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-nitropyridin-4-one is sourced from PubChem (CID 71970710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).