[1-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methylpyrrolidin-2-yl]methanol

C12H15BrN4O — CID 102784075

IUPAC[1-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(c2nc(Br)cn3ccnc23)C1CO
InChIInChI=1S/C12H15BrN4O/c1-8-2-4-17(9(8)7-18)12-11-14-3-5-16(11)6-10(13)15-12/h3,5-6,8-9,18H,2,4,7H2,1H3
InChIKeyRJHUOEMHRSRVAX-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.70
Rot. Bonds2

About [1-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methylpyrrolidin-2-yl]methanol

[1-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102784075) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is [1-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID102784075
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC Name[1-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(c2nc(Br)cn3ccnc23)C1CO
InChIInChI=1S/C12H15BrN4O/c1-8-2-4-17(9(8)7-18)12-11-14-3-5-16(11)6-10(13)15-12/h3,5-6,8-9,18H,2,4,7H2,1H3
InChIKeyRJHUOEMHRSRVAX-UHFFFAOYSA-N
XLogP1.70
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methylpyrrolidin-2-yl]methanol (CID 102784075) is [1-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methylpyrrolidin-2-yl]methanol is CC1CCN(c2nc(Br)cn3ccnc23)C1CO.
What is the InChIKey of [1-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is RJHUOEMHRSRVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O/c1-8-2-4-17(9(8)7-18)12-11-14-3-5-16(11)6-10(13)15-12/h3,5-6,8-9,18H,2,4,7H2,1H3.
What are the key properties of [1-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methylpyrrolidin-2-yl]methanol?
[1-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 311.18 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102784075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).