N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C17H14BrN5O2 — CID 87043857

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCc1noc2ncc(C(=O)NCc3cn4cc(Br)ccc4n3)cc12
InChIInChI=1S/C17H14BrN5O2/c1-2-14-13-5-10(6-20-17(13)25-22-14)16(24)19-7-12-9-23-8-11(18)3-4-15(23)21-12/h3-6,8-9H,2,7H2,1H3,(H,19,24)
InChIKeyVIOIUWRWHRDFRC-UHFFFAOYSA-N
MW400.24 g/mol
LogP3.13
Rot. Bonds4

About N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 87043857) has the molecular formula C17H14BrN5O2 and a molecular weight of 400.24 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID87043857
Molecular FormulaC17H14BrN5O2
Molecular Weight400.24 g/mol
Exact Mass399.03
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCc1noc2ncc(C(=O)NCc3cn4cc(Br)ccc4n3)cc12
InChIInChI=1S/C17H14BrN5O2/c1-2-14-13-5-10(6-20-17(13)25-22-14)16(24)19-7-12-9-23-8-11(18)3-4-15(23)21-12/h3-6,8-9H,2,7H2,1H3,(H,19,24)
InChIKeyVIOIUWRWHRDFRC-UHFFFAOYSA-N
XLogP3.13
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.24
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5-triethoxybenzamide
CID 55976377
N-(2-amino-2-methylpropyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 119626084
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 47067642
2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid
CID 119350359
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 87043821
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pentanamide
CID 47343482
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 87043792
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]benzamide
CID 95140224
3-ethyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 126769214
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55976908
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(diethylsulfamoyl)-4-methylbenzamide
CID 55976375
N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-3-oxopropyl]-4-chlorobenzamide
CID 55977015

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 87043857) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is CCc1noc2ncc(C(=O)NCc3cn4cc(Br)ccc4n3)cc12.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is VIOIUWRWHRDFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN5O2/c1-2-14-13-5-10(6-20-17(13)25-22-14)16(24)19-7-12-9-23-8-11(18)3-4-15(23)21-12/h3-6,8-9H,2,7H2,1H3,(H,19,24).
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 400.24 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 87043857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).