3-[9-(oxan-4-yl)-8-oxo-7H-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile

C18H15N7O2 — CID 54766274

IUPAC3-[9-(oxan-4-yl)-8-oxo-7H-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2ncc(-c3ncc4[nH]c(=O)n(C5CCOCC5)c4n3)n2c1
InChIInChI=1S/C18H15N7O2/c19-7-11-1-2-15-20-9-14(24(15)10-11)16-21-8-13-17(23-16)25(18(26)22-13)12-3-5-27-6-4-12/h1-2,8-10,12H,3-6H2,(H,22,26)
InChIKeySLNLHYXQLPBJQR-UHFFFAOYSA-N
MW361.37 g/mol
LogP1.66
Rot. Bonds2

About 3-[9-(oxan-4-yl)-8-oxo-7H-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile

3-[9-(oxan-4-yl)-8-oxo-7H-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 54766274) has the molecular formula C18H15N7O2 and a molecular weight of 361.37 g/mol. Its IUPAC name is 3-[9-(oxan-4-yl)-8-oxo-7H-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-[9-(oxan-4-yl)-8-oxo-7H-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID54766274
Molecular FormulaC18H15N7O2
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC Name3-[9-(oxan-4-yl)-8-oxo-7H-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2ncc(-c3ncc4[nH]c(=O)n(C5CCOCC5)c4n3)n2c1
InChIInChI=1S/C18H15N7O2/c19-7-11-1-2-15-20-9-14(24(15)10-11)16-21-8-13-17(23-16)25(18(26)22-13)12-3-5-27-6-4-12/h1-2,8-10,12H,3-6H2,(H,22,26)
InChIKeySLNLHYXQLPBJQR-UHFFFAOYSA-N
XLogP1.66
TPSA113.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[9-(oxan-4-yl)-8-oxo-7H-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 3-[9-(oxan-4-yl)-8-oxo-7H-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile (CID 54766274) is 3-[9-(oxan-4-yl)-8-oxo-7H-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-[9-(oxan-4-yl)-8-oxo-7H-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-[9-(oxan-4-yl)-8-oxo-7H-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile is N#Cc1ccc2ncc(-c3ncc4[nH]c(=O)n(C5CCOCC5)c4n3)n2c1.
What is the InChIKey of 3-[9-(oxan-4-yl)-8-oxo-7H-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is SLNLHYXQLPBJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O2/c19-7-11-1-2-15-20-9-14(24(15)10-11)16-21-8-13-17(23-16)25(18(26)22-13)12-3-5-27-6-4-12/h1-2,8-10,12H,3-6H2,(H,22,26).
What are the key properties of 3-[9-(oxan-4-yl)-8-oxo-7H-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
3-[9-(oxan-4-yl)-8-oxo-7H-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 361.37 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(oxan-4-yl)-8-oxo-7H-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 54766274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).