N-benzyl-3-pyridin-3-yl-5,7-dihydroimidazo[1,2-b]pyrazol-6-imine

C17H15N5 — CID 140905429

IUPACN-benzyl-3-pyridin-3-yl-5,7-dihydroimidazo[1,2-b]pyrazol-6-imine
SMILESc1ccc(C/N=C2\Cc3ncc(-c4cccnc4)n3N2)cc1
InChIInChI=1S/C17H15N5/c1-2-5-13(6-3-1)10-19-16-9-17-20-12-15(22(17)21-16)14-7-4-8-18-11-14/h1-8,11-12H,9-10H2,(H,19,21)
InChIKeyAABPOUPASPLTNT-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.64
Rot. Bonds3

About N-benzyl-3-pyridin-3-yl-5,7-dihydroimidazo[1,2-b]pyrazol-6-imine

N-benzyl-3-pyridin-3-yl-5,7-dihydroimidazo[1,2-b]pyrazol-6-imine (PubChem CID 140905429) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-benzyl-3-pyridin-3-yl-5,7-dihydroimidazo[1,2-b]pyrazol-6-imine.

Molecular Properties

Compound NameN-benzyl-3-pyridin-3-yl-5,7-dihydroimidazo[1,2-b]pyrazol-6-imine
PubChem CID140905429
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC NameN-benzyl-3-pyridin-3-yl-5,7-dihydroimidazo[1,2-b]pyrazol-6-imine
SMILESc1ccc(C/N=C2\Cc3ncc(-c4cccnc4)n3N2)cc1
InChIInChI=1S/C17H15N5/c1-2-5-13(6-3-1)10-19-16-9-17-20-12-15(22(17)21-16)14-7-4-8-18-11-14/h1-8,11-12H,9-10H2,(H,19,21)
InChIKeyAABPOUPASPLTNT-UHFFFAOYSA-N
XLogP2.64
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-pyridin-3-yl-5,7-dihydroimidazo[1,2-b]pyrazol-6-imine?
The IUPAC name of N-benzyl-3-pyridin-3-yl-5,7-dihydroimidazo[1,2-b]pyrazol-6-imine (CID 140905429) is N-benzyl-3-pyridin-3-yl-5,7-dihydroimidazo[1,2-b]pyrazol-6-imine.
What is the SMILES notation for N-benzyl-3-pyridin-3-yl-5,7-dihydroimidazo[1,2-b]pyrazol-6-imine?
The canonical SMILES for N-benzyl-3-pyridin-3-yl-5,7-dihydroimidazo[1,2-b]pyrazol-6-imine is c1ccc(C/N=C2\Cc3ncc(-c4cccnc4)n3N2)cc1.
What is the InChIKey of N-benzyl-3-pyridin-3-yl-5,7-dihydroimidazo[1,2-b]pyrazol-6-imine?
The InChIKey is AABPOUPASPLTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-2-5-13(6-3-1)10-19-16-9-17-20-12-15(22(17)21-16)14-7-4-8-18-11-14/h1-8,11-12H,9-10H2,(H,19,21).
What are the key properties of N-benzyl-3-pyridin-3-yl-5,7-dihydroimidazo[1,2-b]pyrazol-6-imine?
N-benzyl-3-pyridin-3-yl-5,7-dihydroimidazo[1,2-b]pyrazol-6-imine has a molecular weight of 289.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-pyridin-3-yl-5,7-dihydroimidazo[1,2-b]pyrazol-6-imine is sourced from PubChem (CID 140905429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).