8-N-imidazo[1,2-a]pyridin-5-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine

C14H18N4O — CID 102626151

IUPAC8-N-imidazo[1,2-a]pyridin-5-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine
SMILESNC1C2CCCOC2C1Nc1cccc2nccn12
InChIInChI=1S/C14H18N4O/c15-12-9-3-2-8-19-14(9)13(12)17-11-5-1-4-10-16-6-7-18(10)11/h1,4-7,9,12-14,17H,2-3,8,15H2
InChIKeyMHTYZTLCKMVMEI-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.25
Rot. Bonds2

About 8-N-imidazo[1,2-a]pyridin-5-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine

8-N-imidazo[1,2-a]pyridin-5-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine (PubChem CID 102626151) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 8-N-imidazo[1,2-a]pyridin-5-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine.

Molecular Properties

Compound Name8-N-imidazo[1,2-a]pyridin-5-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine
PubChem CID102626151
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name8-N-imidazo[1,2-a]pyridin-5-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine
SMILESNC1C2CCCOC2C1Nc1cccc2nccn12
InChIInChI=1S/C14H18N4O/c15-12-9-3-2-8-19-14(9)13(12)17-11-5-1-4-10-16-6-7-18(10)11/h1,4-7,9,12-14,17H,2-3,8,15H2
InChIKeyMHTYZTLCKMVMEI-UHFFFAOYSA-N
XLogP1.25
TPSA64.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-N-imidazo[1,2-a]pyridin-5-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine?
The IUPAC name of 8-N-imidazo[1,2-a]pyridin-5-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine (CID 102626151) is 8-N-imidazo[1,2-a]pyridin-5-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine.
What is the SMILES notation for 8-N-imidazo[1,2-a]pyridin-5-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine?
The canonical SMILES for 8-N-imidazo[1,2-a]pyridin-5-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine is NC1C2CCCOC2C1Nc1cccc2nccn12.
What is the InChIKey of 8-N-imidazo[1,2-a]pyridin-5-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine?
The InChIKey is MHTYZTLCKMVMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-12-9-3-2-8-19-14(9)13(12)17-11-5-1-4-10-16-6-7-18(10)11/h1,4-7,9,12-14,17H,2-3,8,15H2.
What are the key properties of 8-N-imidazo[1,2-a]pyridin-5-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine?
8-N-imidazo[1,2-a]pyridin-5-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine has a molecular weight of 258.32 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-imidazo[1,2-a]pyridin-5-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine is sourced from PubChem (CID 102626151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).