azane;(3S)-5-imidazo[1,2-a]pyridin-6-yl-3,4-dihydro-2H-chromen-3-amine

C16H18N4O — CID 68764787

IUPACazane;(3S)-5-imidazo[1,2-a]pyridin-6-yl-3,4-dihydro-2H-chromen-3-amine
SMILESN.N[C@@H]1COc2cccc(-c3ccc4nccn4c3)c2C1
InChIInChI=1S/C16H15N3O.H3N/c17-12-8-14-13(2-1-3-15(14)20-10-12)11-4-5-16-18-6-7-19(16)9-11;/h1-7,9,12H,8,10,17H2;1H3/t12-;/m0./s1
InChIKeyHEDUYGYHPYPMCQ-YDALLXLXSA-N
MW282.35 g/mol
LogP2.43
Rot. Bonds1

About azane;(3S)-5-imidazo[1,2-a]pyridin-6-yl-3,4-dihydro-2H-chromen-3-amine

azane;(3S)-5-imidazo[1,2-a]pyridin-6-yl-3,4-dihydro-2H-chromen-3-amine (PubChem CID 68764787) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is azane;(3S)-5-imidazo[1,2-a]pyridin-6-yl-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Nameazane;(3S)-5-imidazo[1,2-a]pyridin-6-yl-3,4-dihydro-2H-chromen-3-amine
PubChem CID68764787
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Nameazane;(3S)-5-imidazo[1,2-a]pyridin-6-yl-3,4-dihydro-2H-chromen-3-amine
SMILESN.N[C@@H]1COc2cccc(-c3ccc4nccn4c3)c2C1
InChIInChI=1S/C16H15N3O.H3N/c17-12-8-14-13(2-1-3-15(14)20-10-12)11-4-5-16-18-6-7-19(16)9-11;/h1-7,9,12H,8,10,17H2;1H3/t12-;/m0./s1
InChIKeyHEDUYGYHPYPMCQ-YDALLXLXSA-N
XLogP2.43
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of azane;(3S)-5-imidazo[1,2-a]pyridin-6-yl-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of azane;(3S)-5-imidazo[1,2-a]pyridin-6-yl-3,4-dihydro-2H-chromen-3-amine (CID 68764787) is azane;(3S)-5-imidazo[1,2-a]pyridin-6-yl-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for azane;(3S)-5-imidazo[1,2-a]pyridin-6-yl-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for azane;(3S)-5-imidazo[1,2-a]pyridin-6-yl-3,4-dihydro-2H-chromen-3-amine is N.N[C@@H]1COc2cccc(-c3ccc4nccn4c3)c2C1.
What is the InChIKey of azane;(3S)-5-imidazo[1,2-a]pyridin-6-yl-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is HEDUYGYHPYPMCQ-YDALLXLXSA-N. The full InChI is InChI=1S/C16H15N3O.H3N/c17-12-8-14-13(2-1-3-15(14)20-10-12)11-4-5-16-18-6-7-19(16)9-11;/h1-7,9,12H,8,10,17H2;1H3/t12-;/m0./s1.
What are the key properties of azane;(3S)-5-imidazo[1,2-a]pyridin-6-yl-3,4-dihydro-2H-chromen-3-amine?
azane;(3S)-5-imidazo[1,2-a]pyridin-6-yl-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 282.35 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(3S)-5-imidazo[1,2-a]pyridin-6-yl-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 68764787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).