[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone

C19H17N5O3 — CID 89212502

IUPAC[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone
SMILES[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(C(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)C1([2H])[2H]
InChIInChI=1S/C19H17N5O3/c20-19-22-14-9-12(1-3-16(14)27-19)13-2-4-17-21-10-15(24(17)11-13)18(25)23-5-7-26-8-6-23/h1-4,9-11H,5-8H2,(H2,20,22)/i5D2,6D2,7D2,8D2
InChIKeyBLGWHBSBBJNKJO-YEBVBAJPSA-N
MW371.43 g/mol
LogP2.20
Rot. Bonds2

About [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone (PubChem CID 89212502) has the molecular formula C19H17N5O3 and a molecular weight of 371.43 g/mol. Its IUPAC name is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone.

Molecular Properties

Compound Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone
PubChem CID89212502
Molecular FormulaC19H17N5O3
Molecular Weight371.43 g/mol
Exact Mass371.18
IUPAC Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone
SMILES[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(C(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)C1([2H])[2H]
InChIInChI=1S/C19H17N5O3/c20-19-22-14-9-12(1-3-16(14)27-19)13-2-4-17-21-10-15(24(17)11-13)18(25)23-5-7-26-8-6-23/h1-4,9-11H,5-8H2,(H2,20,22)/i5D2,6D2,7D2,8D2
InChIKeyBLGWHBSBBJNKJO-YEBVBAJPSA-N
XLogP2.20
TPSA98.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone?
The IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone (CID 89212502) is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone.
What is the SMILES notation for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone?
The canonical SMILES for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone is [2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(C(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)C1([2H])[2H].
What is the InChIKey of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone?
The InChIKey is BLGWHBSBBJNKJO-YEBVBAJPSA-N. The full InChI is InChI=1S/C19H17N5O3/c20-19-22-14-9-12(1-3-16(14)27-19)13-2-4-17-21-10-15(24(17)11-13)18(25)23-5-7-26-8-6-23/h1-4,9-11H,5-8H2,(H2,20,22)/i5D2,6D2,7D2,8D2.
What are the key properties of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone?
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone has a molecular weight of 371.43 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone is sourced from PubChem (CID 89212502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).