7-nitro-4-piperidin-1-yl-3H-imidazo[4,5-c]pyridine

C11H13N5O2 — CID 15366272

IUPAC7-nitro-4-piperidin-1-yl-3H-imidazo[4,5-c]pyridine
SMILESO=[N+]([O-])c1cnc(N2CCCCC2)c2[nH]cnc12
InChIInChI=1S/C11H13N5O2/c17-16(18)8-6-12-11(10-9(8)13-7-14-10)15-4-2-1-3-5-15/h6-7H,1-5H2,(H,13,14)
InChIKeyCQYNNDGCTOIDHZ-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.86
Rot. Bonds2

About 7-nitro-4-piperidin-1-yl-3H-imidazo[4,5-c]pyridine

7-nitro-4-piperidin-1-yl-3H-imidazo[4,5-c]pyridine (PubChem CID 15366272) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 7-nitro-4-piperidin-1-yl-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name7-nitro-4-piperidin-1-yl-3H-imidazo[4,5-c]pyridine
PubChem CID15366272
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name7-nitro-4-piperidin-1-yl-3H-imidazo[4,5-c]pyridine
SMILESO=[N+]([O-])c1cnc(N2CCCCC2)c2[nH]cnc12
InChIInChI=1S/C11H13N5O2/c17-16(18)8-6-12-11(10-9(8)13-7-14-10)15-4-2-1-3-5-15/h6-7H,1-5H2,(H,13,14)
InChIKeyCQYNNDGCTOIDHZ-UHFFFAOYSA-N
XLogP1.86
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-nitro-4-piperidin-1-yl-3H-imidazo[4,5-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,7-dinitro-1H-benzimidazole
CID 119091833
5-nitro-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 4057749
7-nitro-3H-benzimidazol-4-ol
CID 130770665
2-bromo-5-nitro-4-piperidin-1-ylpyridine
CID 137390842
4-nitro-5-pyrrolidin-1-yl-1H-pyrazole
CID 134452939
5-nitro-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 47204491
6-(azepan-1-yl)-5-nitropyridine-2-carboxylic acid
CID 114403402
5-nitro-8-piperidin-1-ylquinoline
CID 3124100
4,7-dichloro-6-nitro-1H-benzimidazole
CID 95909581
4-methoxy-5-nitro-2-pyrrolidin-1-ylpyridine
CID 57431518
4-(5-methyl-3-nitro-2-pyridinyl)thiomorpholine
CID 142614299
[4-(4-methyl-1,4-diazepan-1-yl)-5-nitropyrimidin-2-yl]hydrazine
CID 114045124

Frequently Asked Questions

What is the IUPAC name of 7-nitro-4-piperidin-1-yl-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 7-nitro-4-piperidin-1-yl-3H-imidazo[4,5-c]pyridine (CID 15366272) is 7-nitro-4-piperidin-1-yl-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 7-nitro-4-piperidin-1-yl-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 7-nitro-4-piperidin-1-yl-3H-imidazo[4,5-c]pyridine is O=[N+]([O-])c1cnc(N2CCCCC2)c2[nH]cnc12.
What is the InChIKey of 7-nitro-4-piperidin-1-yl-3H-imidazo[4,5-c]pyridine?
The InChIKey is CQYNNDGCTOIDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c17-16(18)8-6-12-11(10-9(8)13-7-14-10)15-4-2-1-3-5-15/h6-7H,1-5H2,(H,13,14).
What are the key properties of 7-nitro-4-piperidin-1-yl-3H-imidazo[4,5-c]pyridine?
7-nitro-4-piperidin-1-yl-3H-imidazo[4,5-c]pyridine has a molecular weight of 247.26 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-4-piperidin-1-yl-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 15366272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).