N'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)azetidine-1-carboximidamide

C12H15N5 — CID 122096063

IUPACN'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)azetidine-1-carboximidamide
SMILESN/C(=N\Cc1cnn2ccccc12)N1CCC1
InChIInChI=1S/C12H15N5/c13-12(16-5-3-6-16)14-8-10-9-15-17-7-2-1-4-11(10)17/h1-2,4,7,9H,3,5-6,8H2,(H2,13,14)
InChIKeyCXAACHVEBCTPOS-UHFFFAOYSA-N
MW229.29 g/mol
LogP0.85
Rot. Bonds2

About N'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)azetidine-1-carboximidamide

N'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)azetidine-1-carboximidamide (PubChem CID 122096063) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is N'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)azetidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)azetidine-1-carboximidamide
PubChem CID122096063
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC NameN'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)azetidine-1-carboximidamide
SMILESN/C(=N\Cc1cnn2ccccc12)N1CCC1
InChIInChI=1S/C12H15N5/c13-12(16-5-3-6-16)14-8-10-9-15-17-7-2-1-4-11(10)17/h1-2,4,7,9H,3,5-6,8H2,(H2,13,14)
InChIKeyCXAACHVEBCTPOS-UHFFFAOYSA-N
XLogP0.85
TPSA58.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)azetidine-1-carboximidamide?
The IUPAC name of N'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)azetidine-1-carboximidamide (CID 122096063) is N'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)azetidine-1-carboximidamide.
What is the SMILES notation for N'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)azetidine-1-carboximidamide?
The canonical SMILES for N'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)azetidine-1-carboximidamide is N/C(=N\Cc1cnn2ccccc12)N1CCC1.
What is the InChIKey of N'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)azetidine-1-carboximidamide?
The InChIKey is CXAACHVEBCTPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c13-12(16-5-3-6-16)14-8-10-9-15-17-7-2-1-4-11(10)17/h1-2,4,7,9H,3,5-6,8H2,(H2,13,14).
What are the key properties of N'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)azetidine-1-carboximidamide?
N'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)azetidine-1-carboximidamide has a molecular weight of 229.29 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)azetidine-1-carboximidamide is sourced from PubChem (CID 122096063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).