3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-bromoimidazo[4,5-b]pyridin-2-amine

C14H18BrN5O — CID 79280049

IUPAC3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-bromoimidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cc(Br)cnc2n1CC1CN2CCCC2CO1
InChIInChI=1S/C14H18BrN5O/c15-9-4-12-13(17-5-9)20(14(16)18-12)7-11-6-19-3-1-2-10(19)8-21-11/h4-5,10-11H,1-3,6-8H2,(H2,16,18)
InChIKeyVEKCFGBBMQNCET-UHFFFAOYSA-N
MW352.24 g/mol
LogP1.64
Rot. Bonds2

About 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-bromoimidazo[4,5-b]pyridin-2-amine

3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-bromoimidazo[4,5-b]pyridin-2-amine (PubChem CID 79280049) has the molecular formula C14H18BrN5O and a molecular weight of 352.24 g/mol. Its IUPAC name is 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-bromoimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-bromoimidazo[4,5-b]pyridin-2-amine
PubChem CID79280049
Molecular FormulaC14H18BrN5O
Molecular Weight352.24 g/mol
Exact Mass351.07
IUPAC Name3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-bromoimidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cc(Br)cnc2n1CC1CN2CCCC2CO1
InChIInChI=1S/C14H18BrN5O/c15-9-4-12-13(17-5-9)20(14(16)18-12)7-11-6-19-3-1-2-10(19)8-21-11/h4-5,10-11H,1-3,6-8H2,(H2,16,18)
InChIKeyVEKCFGBBMQNCET-UHFFFAOYSA-N
XLogP1.64
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-bromoimidazo[4,5-b]pyridin-2-amine with MolForge

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Related Compounds

6-bromo-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79305908
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81140466
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-bromopyrimidin-2-amine
CID 78953515
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-amino-5-bromopyridine-3-carboxamide
CID 79071244
6-bromo-3-cyclobutylimidazo[4,5-b]pyridin-2-amine
CID 79306648
2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-methylpyridine-2,5-diamine
CID 79176823
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(5-bromo-2-pyridinyl)methyl]methanamine
CID 78961701
6-bromo-2-cyclopropyl-3-[[(2S)-oxiran-2-yl]methyl]imidazo[4,5-b]pyridine
CID 97180397
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)benzimidazol-5-amine
CID 79071452
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3,5-dichloropyridin-2-amine
CID 79072221
4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)pyrimidine-4,5-diamine
CID 79916509
6-bromo-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine
CID 79306856

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-bromoimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-bromoimidazo[4,5-b]pyridin-2-amine (CID 79280049) is 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-bromoimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-bromoimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-bromoimidazo[4,5-b]pyridin-2-amine is Nc1nc2cc(Br)cnc2n1CC1CN2CCCC2CO1.
What is the InChIKey of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-bromoimidazo[4,5-b]pyridin-2-amine?
The InChIKey is VEKCFGBBMQNCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5O/c15-9-4-12-13(17-5-9)20(14(16)18-12)7-11-6-19-3-1-2-10(19)8-21-11/h4-5,10-11H,1-3,6-8H2,(H2,16,18).
What are the key properties of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-bromoimidazo[4,5-b]pyridin-2-amine?
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-bromoimidazo[4,5-b]pyridin-2-amine has a molecular weight of 352.24 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-bromoimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79280049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).