2-(3-nitropyrazol-1-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide

C18H14N6O3 — CID 87023971

IUPAC2-(3-nitropyrazol-1-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)Nc1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C18H14N6O3/c25-16(12-22-11-9-15(21-22)24(26)27)20-18-17(13-6-2-1-3-7-13)19-14-8-4-5-10-23(14)18/h1-11H,12H2,(H,20,25)
InChIKeyBVHYJPWOFIILSG-UHFFFAOYSA-N
MW362.35 g/mol
LogP2.74
Rot. Bonds5

About 2-(3-nitropyrazol-1-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide

2-(3-nitropyrazol-1-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide (PubChem CID 87023971) has the molecular formula C18H14N6O3 and a molecular weight of 362.35 g/mol. Its IUPAC name is 2-(3-nitropyrazol-1-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-nitropyrazol-1-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
PubChem CID87023971
Molecular FormulaC18H14N6O3
Molecular Weight362.35 g/mol
Exact Mass362.11
IUPAC Name2-(3-nitropyrazol-1-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)Nc1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C18H14N6O3/c25-16(12-22-11-9-15(21-22)24(26)27)20-18-17(13-6-2-1-3-7-13)19-14-8-4-5-10-23(14)18/h1-11H,12H2,(H,20,25)
InChIKeyBVHYJPWOFIILSG-UHFFFAOYSA-N
XLogP2.74
TPSA107.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.74
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-(2-nitroanilino)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 55513544
6-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 63643071
N-(2-phenylimidazo[1,2-a]pyridin-3-yl)pentanamide
CID 3828486
N-(2-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 47239868
N-benzyl-2-(3-nitropyrazol-1-yl)acetamide
CID 841686
2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 134050030
N-(2,6-dimethylphenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 19521512
2-methoxy-N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
CID 42694050
N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pentanamide
CID 42694061
N-(4-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 557433
2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanedioic acid
CID 62112095
1-(4-methylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea
CID 4825752

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitropyrazol-1-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The IUPAC name of 2-(3-nitropyrazol-1-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide (CID 87023971) is 2-(3-nitropyrazol-1-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide.
What is the SMILES notation for 2-(3-nitropyrazol-1-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The canonical SMILES for 2-(3-nitropyrazol-1-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide is O=C(Cn1ccc([N+](=O)[O-])n1)Nc1c(-c2ccccc2)nc2ccccn12.
What is the InChIKey of 2-(3-nitropyrazol-1-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The InChIKey is BVHYJPWOFIILSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O3/c25-16(12-22-11-9-15(21-22)24(26)27)20-18-17(13-6-2-1-3-7-13)19-14-8-4-5-10-23(14)18/h1-11H,12H2,(H,20,25).
What are the key properties of 2-(3-nitropyrazol-1-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
2-(3-nitropyrazol-1-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide has a molecular weight of 362.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitropyrazol-1-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide is sourced from PubChem (CID 87023971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).