2-[(7-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-3-(furan-3-yl)propan-1-ol

C15H16BrN3O2 — CID 166298271

IUPAC2-[(7-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-3-(furan-3-yl)propan-1-ol
SMILESOCC(Cc1ccoc1)NCc1cnc2cc(Br)ccn12
InChIInChI=1S/C15H16BrN3O2/c16-12-1-3-19-14(8-18-15(19)6-12)7-17-13(9-20)5-11-2-4-21-10-11/h1-4,6,8,10,13,17,20H,5,7,9H2
InChIKeyDOJPDPIDMREUQL-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.38
Rot. Bonds6

About 2-[(7-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-3-(furan-3-yl)propan-1-ol

2-[(7-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-3-(furan-3-yl)propan-1-ol (PubChem CID 166298271) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 2-[(7-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-3-(furan-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-[(7-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-3-(furan-3-yl)propan-1-ol
PubChem CID166298271
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name2-[(7-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-3-(furan-3-yl)propan-1-ol
SMILESOCC(Cc1ccoc1)NCc1cnc2cc(Br)ccn12
InChIInChI=1S/C15H16BrN3O2/c16-12-1-3-19-14(8-18-15(19)6-12)7-17-13(9-20)5-11-2-4-21-10-11/h1-4,6,8,10,13,17,20H,5,7,9H2
InChIKeyDOJPDPIDMREUQL-UHFFFAOYSA-N
XLogP2.38
TPSA62.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-3-(furan-3-yl)propan-1-ol?
The IUPAC name of 2-[(7-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-3-(furan-3-yl)propan-1-ol (CID 166298271) is 2-[(7-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-3-(furan-3-yl)propan-1-ol.
What is the SMILES notation for 2-[(7-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-3-(furan-3-yl)propan-1-ol?
The canonical SMILES for 2-[(7-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-3-(furan-3-yl)propan-1-ol is OCC(Cc1ccoc1)NCc1cnc2cc(Br)ccn12.
What is the InChIKey of 2-[(7-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-3-(furan-3-yl)propan-1-ol?
The InChIKey is DOJPDPIDMREUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c16-12-1-3-19-14(8-18-15(19)6-12)7-17-13(9-20)5-11-2-4-21-10-11/h1-4,6,8,10,13,17,20H,5,7,9H2.
What are the key properties of 2-[(7-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-3-(furan-3-yl)propan-1-ol?
2-[(7-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-3-(furan-3-yl)propan-1-ol has a molecular weight of 350.22 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-3-(furan-3-yl)propan-1-ol is sourced from PubChem (CID 166298271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).