2-(6-bromo-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)-7-propan-2-yloxy-1-oxa-3-azacyclohepta-5,6-diene

C15H18BrN3O2 — CID 89191344

IUPAC2-(6-bromo-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)-7-propan-2-yloxy-1-oxa-3-azacyclohepta-5,6-diene
SMILESCC(C)OC1=C=CCNC(C2=CNC3C=CC(Br)=CN23)O1
InChIInChI=1S/C15H18BrN3O2/c1-10(2)20-14-4-3-7-17-15(21-14)12-8-18-13-6-5-11(16)9-19(12)13/h3,5-6,8-10,13,15,17-18H,7H2,1-2H3
InChIKeyNCDULSDBKYQAGU-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.23
Rot. Bonds3

About 2-(6-bromo-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)-7-propan-2-yloxy-1-oxa-3-azacyclohepta-5,6-diene

2-(6-bromo-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)-7-propan-2-yloxy-1-oxa-3-azacyclohepta-5,6-diene (PubChem CID 89191344) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 2-(6-bromo-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)-7-propan-2-yloxy-1-oxa-3-azacyclohepta-5,6-diene.

Molecular Properties

Compound Name2-(6-bromo-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)-7-propan-2-yloxy-1-oxa-3-azacyclohepta-5,6-diene
PubChem CID89191344
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name2-(6-bromo-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)-7-propan-2-yloxy-1-oxa-3-azacyclohepta-5,6-diene
SMILESCC(C)OC1=C=CCNC(C2=CNC3C=CC(Br)=CN23)O1
InChIInChI=1S/C15H18BrN3O2/c1-10(2)20-14-4-3-7-17-15(21-14)12-8-18-13-6-5-11(16)9-19(12)13/h3,5-6,8-10,13,15,17-18H,7H2,1-2H3
InChIKeyNCDULSDBKYQAGU-UHFFFAOYSA-N
XLogP2.23
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)-7-propan-2-yloxy-1-oxa-3-azacyclohepta-5,6-diene?
The IUPAC name of 2-(6-bromo-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)-7-propan-2-yloxy-1-oxa-3-azacyclohepta-5,6-diene (CID 89191344) is 2-(6-bromo-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)-7-propan-2-yloxy-1-oxa-3-azacyclohepta-5,6-diene.
What is the SMILES notation for 2-(6-bromo-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)-7-propan-2-yloxy-1-oxa-3-azacyclohepta-5,6-diene?
The canonical SMILES for 2-(6-bromo-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)-7-propan-2-yloxy-1-oxa-3-azacyclohepta-5,6-diene is CC(C)OC1=C=CCNC(C2=CNC3C=CC(Br)=CN23)O1.
What is the InChIKey of 2-(6-bromo-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)-7-propan-2-yloxy-1-oxa-3-azacyclohepta-5,6-diene?
The InChIKey is NCDULSDBKYQAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-10(2)20-14-4-3-7-17-15(21-14)12-8-18-13-6-5-11(16)9-19(12)13/h3,5-6,8-10,13,15,17-18H,7H2,1-2H3.
What are the key properties of 2-(6-bromo-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)-7-propan-2-yloxy-1-oxa-3-azacyclohepta-5,6-diene?
2-(6-bromo-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)-7-propan-2-yloxy-1-oxa-3-azacyclohepta-5,6-diene has a molecular weight of 352.23 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)-7-propan-2-yloxy-1-oxa-3-azacyclohepta-5,6-diene is sourced from PubChem (CID 89191344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).