7-bromo-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydropyrido[3,4-b][1,4]oxazine

C18H17BrN4O — CID 165131598

IUPAC7-bromo-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydropyrido[3,4-b][1,4]oxazine
SMILESBrc1cc2c(cn1)OCCN2Cc1cn2cc(C3CC3)ccc2n1
InChIInChI=1S/C18H17BrN4O/c19-17-7-15-16(8-20-17)24-6-5-22(15)10-14-11-23-9-13(12-1-2-12)3-4-18(23)21-14/h3-4,7-9,11-12H,1-2,5-6,10H2
InChIKeyYKQWWYPLJZIGLV-UHFFFAOYSA-N
MW385.27 g/mol
LogP3.77
Rot. Bonds3

About 7-bromo-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydropyrido[3,4-b][1,4]oxazine

7-bromo-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydropyrido[3,4-b][1,4]oxazine (PubChem CID 165131598) has the molecular formula C18H17BrN4O and a molecular weight of 385.27 g/mol. Its IUPAC name is 7-bromo-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydropyrido[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name7-bromo-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydropyrido[3,4-b][1,4]oxazine
PubChem CID165131598
Molecular FormulaC18H17BrN4O
Molecular Weight385.27 g/mol
Exact Mass384.06
IUPAC Name7-bromo-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydropyrido[3,4-b][1,4]oxazine
SMILESBrc1cc2c(cn1)OCCN2Cc1cn2cc(C3CC3)ccc2n1
InChIInChI=1S/C18H17BrN4O/c19-17-7-15-16(8-20-17)24-6-5-22(15)10-14-11-23-9-13(12-1-2-12)3-4-18(23)21-14/h3-4,7-9,11-12H,1-2,5-6,10H2
InChIKeyYKQWWYPLJZIGLV-UHFFFAOYSA-N
XLogP3.77
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydropyrido[3,4-b][1,4]oxazine?
The IUPAC name of 7-bromo-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydropyrido[3,4-b][1,4]oxazine (CID 165131598) is 7-bromo-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydropyrido[3,4-b][1,4]oxazine.
What is the SMILES notation for 7-bromo-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydropyrido[3,4-b][1,4]oxazine?
The canonical SMILES for 7-bromo-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydropyrido[3,4-b][1,4]oxazine is Brc1cc2c(cn1)OCCN2Cc1cn2cc(C3CC3)ccc2n1.
What is the InChIKey of 7-bromo-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydropyrido[3,4-b][1,4]oxazine?
The InChIKey is YKQWWYPLJZIGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O/c19-17-7-15-16(8-20-17)24-6-5-22(15)10-14-11-23-9-13(12-1-2-12)3-4-18(23)21-14/h3-4,7-9,11-12H,1-2,5-6,10H2.
What are the key properties of 7-bromo-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydropyrido[3,4-b][1,4]oxazine?
7-bromo-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydropyrido[3,4-b][1,4]oxazine has a molecular weight of 385.27 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydropyrido[3,4-b][1,4]oxazine is sourced from PubChem (CID 165131598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).