5-[1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidin-4-yl]-1H-pyrazol-3-amine

C15H17N7O2 — CID 71861134

IUPAC5-[1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidin-4-yl]-1H-pyrazol-3-amine
SMILESNc1cc(C2CCN(c3nc4ccccn4c3[N+](=O)[O-])CC2)[nH]n1
InChIInChI=1S/C15H17N7O2/c16-12-9-11(18-19-12)10-4-7-20(8-5-10)14-15(22(23)24)21-6-2-1-3-13(21)17-14/h1-3,6,9-10H,4-5,7-8H2,(H3,16,18,19)
InChIKeyLRRLONSMVYBOCE-UHFFFAOYSA-N
MW327.35 g/mol
LogP1.93
Rot. Bonds3

About 5-[1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidin-4-yl]-1H-pyrazol-3-amine

5-[1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidin-4-yl]-1H-pyrazol-3-amine (PubChem CID 71861134) has the molecular formula C15H17N7O2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 5-[1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidin-4-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidin-4-yl]-1H-pyrazol-3-amine
PubChem CID71861134
Molecular FormulaC15H17N7O2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name5-[1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidin-4-yl]-1H-pyrazol-3-amine
SMILESNc1cc(C2CCN(c3nc4ccccn4c3[N+](=O)[O-])CC2)[nH]n1
InChIInChI=1S/C15H17N7O2/c16-12-9-11(18-19-12)10-4-7-20(8-5-10)14-15(22(23)24)21-6-2-1-3-13(21)17-14/h1-3,6,9-10H,4-5,7-8H2,(H3,16,18,19)
InChIKeyLRRLONSMVYBOCE-UHFFFAOYSA-N
XLogP1.93
TPSA118.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidin-4-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidin-4-yl]-1H-pyrazol-3-amine (CID 71861134) is 5-[1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidin-4-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidin-4-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidin-4-yl]-1H-pyrazol-3-amine is Nc1cc(C2CCN(c3nc4ccccn4c3[N+](=O)[O-])CC2)[nH]n1.
What is the InChIKey of 5-[1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidin-4-yl]-1H-pyrazol-3-amine?
The InChIKey is LRRLONSMVYBOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2/c16-12-9-11(18-19-12)10-4-7-20(8-5-10)14-15(22(23)24)21-6-2-1-3-13(21)17-14/h1-3,6,9-10H,4-5,7-8H2,(H3,16,18,19).
What are the key properties of 5-[1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidin-4-yl]-1H-pyrazol-3-amine?
5-[1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidin-4-yl]-1H-pyrazol-3-amine has a molecular weight of 327.35 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidin-4-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 71861134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).