3-(nitrosomethyl)-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine

C18H13N5O — CID 134546542

IUPAC3-(nitrosomethyl)-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine
SMILESO=NCc1cnc2ccc(-c3cccnc3-c3ccccn3)cn12
InChIInChI=1S/C18H13N5O/c24-22-11-14-10-21-17-7-6-13(12-23(14)17)15-4-3-9-20-18(15)16-5-1-2-8-19-16/h1-10,12H,11H2
InChIKeyNREXFOKDFMIJNU-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.72
Rot. Bonds4

About 3-(nitrosomethyl)-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine

3-(nitrosomethyl)-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine (PubChem CID 134546542) has the molecular formula C18H13N5O and a molecular weight of 315.34 g/mol. Its IUPAC name is 3-(nitrosomethyl)-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(nitrosomethyl)-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine
PubChem CID134546542
Molecular FormulaC18H13N5O
Molecular Weight315.34 g/mol
Exact Mass315.11
IUPAC Name3-(nitrosomethyl)-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine
SMILESO=NCc1cnc2ccc(-c3cccnc3-c3ccccn3)cn12
InChIInChI=1S/C18H13N5O/c24-22-11-14-10-21-17-7-6-13(12-23(14)17)15-4-3-9-20-18(15)16-5-1-2-8-19-16/h1-10,12H,11H2
InChIKeyNREXFOKDFMIJNU-UHFFFAOYSA-N
XLogP3.72
TPSA72.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(nitrosomethyl)-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(nitrosomethyl)-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine (CID 134546542) is 3-(nitrosomethyl)-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(nitrosomethyl)-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(nitrosomethyl)-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine is O=NCc1cnc2ccc(-c3cccnc3-c3ccccn3)cn12.
What is the InChIKey of 3-(nitrosomethyl)-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine?
The InChIKey is NREXFOKDFMIJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O/c24-22-11-14-10-21-17-7-6-13(12-23(14)17)15-4-3-9-20-18(15)16-5-1-2-8-19-16/h1-10,12H,11H2.
What are the key properties of 3-(nitrosomethyl)-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine?
3-(nitrosomethyl)-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine has a molecular weight of 315.34 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(nitrosomethyl)-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 134546542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).