N'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiomorpholine-4-carboximidamide

C13H17N5S — CID 120973193

IUPACN'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiomorpholine-4-carboximidamide
SMILESN/C(=N\Cc1cnn2ccccc12)N1CCSCC1
InChIInChI=1S/C13H17N5S/c14-13(17-5-7-19-8-6-17)15-9-11-10-16-18-4-2-1-3-12(11)18/h1-4,10H,5-9H2,(H2,14,15)
InChIKeyZUNDQOPYMSLRPG-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.20
Rot. Bonds2

About N'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiomorpholine-4-carboximidamide

N'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiomorpholine-4-carboximidamide (PubChem CID 120973193) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is N'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiomorpholine-4-carboximidamide
PubChem CID120973193
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC NameN'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiomorpholine-4-carboximidamide
SMILESN/C(=N\Cc1cnn2ccccc12)N1CCSCC1
InChIInChI=1S/C13H17N5S/c14-13(17-5-7-19-8-6-17)15-9-11-10-16-18-4-2-1-3-12(11)18/h1-4,10H,5-9H2,(H2,14,15)
InChIKeyZUNDQOPYMSLRPG-UHFFFAOYSA-N
XLogP1.20
TPSA58.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)thiomorpholine-4-carboximidamide?
The IUPAC name of N'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiomorpholine-4-carboximidamide (CID 120973193) is N'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiomorpholine-4-carboximidamide is N/C(=N\Cc1cnn2ccccc12)N1CCSCC1.
What is the InChIKey of N'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiomorpholine-4-carboximidamide?
The InChIKey is ZUNDQOPYMSLRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c14-13(17-5-7-19-8-6-17)15-9-11-10-16-18-4-2-1-3-12(11)18/h1-4,10H,5-9H2,(H2,14,15).
What are the key properties of N'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiomorpholine-4-carboximidamide?
N'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiomorpholine-4-carboximidamide has a molecular weight of 275.38 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiomorpholine-4-carboximidamide is sourced from PubChem (CID 120973193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).