3-amino-5-[5-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile

C16H18N8O2 — CID 18095349

IUPAC3-amino-5-[5-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(N)n[nH]c1CCCCCNc1nc2ccccn2c1[N+](=O)[O-]
InChIInChI=1S/C16H18N8O2/c17-10-11-12(21-22-14(11)18)6-2-1-4-8-19-15-16(24(25)26)23-9-5-3-7-13(23)20-15/h3,5,7,9,19H,1-2,4,6,8H2,(H3,18,21,22)
InChIKeyVCUKISUJXBEVAV-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.24
Rot. Bonds8

About 3-amino-5-[5-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile

3-amino-5-[5-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile (PubChem CID 18095349) has the molecular formula C16H18N8O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 3-amino-5-[5-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[5-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile
PubChem CID18095349
Molecular FormulaC16H18N8O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC Name3-amino-5-[5-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(N)n[nH]c1CCCCCNc1nc2ccccn2c1[N+](=O)[O-]
InChIInChI=1S/C16H18N8O2/c17-10-11-12(21-22-14(11)18)6-2-1-4-8-19-15-16(24(25)26)23-9-5-3-7-13(23)20-15/h3,5,7,9,19H,1-2,4,6,8H2,(H3,18,21,22)
InChIKeyVCUKISUJXBEVAV-UHFFFAOYSA-N
XLogP2.24
TPSA150.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-amino-5-[5-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[5-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[5-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile (CID 18095349) is 3-amino-5-[5-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[5-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[5-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile is N#Cc1c(N)n[nH]c1CCCCCNc1nc2ccccn2c1[N+](=O)[O-].
What is the InChIKey of 3-amino-5-[5-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile?
The InChIKey is VCUKISUJXBEVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O2/c17-10-11-12(21-22-14(11)18)6-2-1-4-8-19-15-16(24(25)26)23-9-5-3-7-13(23)20-15/h3,5,7,9,19H,1-2,4,6,8H2,(H3,18,21,22).
What are the key properties of 3-amino-5-[5-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile?
3-amino-5-[5-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile has a molecular weight of 354.37 g/mol, XLogP of 2.24, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[5-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 18095349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).