1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(methylamino)propan-2-ol

C18H23FN4O2 — CID 142794996

IUPAC1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1ccc(C2CC(c3cnc(N)cn3)C2)cc1F
InChIInChI=1S/C18H23FN4O2/c1-21-7-14(24)10-25-17-3-2-11(6-15(17)19)12-4-13(5-12)16-8-23-18(20)9-22-16/h2-3,6,8-9,12-14,21,24H,4-5,7,10H2,1H3,(H2,20,23)
InChIKeyKSGFUKNRPOGKKX-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.82
Rot. Bonds7

About 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(methylamino)propan-2-ol

1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(methylamino)propan-2-ol (PubChem CID 142794996) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(methylamino)propan-2-ol
PubChem CID142794996
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1ccc(C2CC(c3cnc(N)cn3)C2)cc1F
InChIInChI=1S/C18H23FN4O2/c1-21-7-14(24)10-25-17-3-2-11(6-15(17)19)12-4-13(5-12)16-8-23-18(20)9-22-16/h2-3,6,8-9,12-14,21,24H,4-5,7,10H2,1H3,(H2,20,23)
InChIKeyKSGFUKNRPOGKKX-UHFFFAOYSA-N
XLogP1.82
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]pyrazin-2-one
CID 90310573
1-[3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(pyrazin-2-ylamino)propan-2-ol
CID 90310694
1-(3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy)-3-(isobutylamino)-propan-2-ol
CID 90310832
3-[3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]propane-1,2-diol
CID 90310843
1-[3-[3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]imidazolidin-2-one
CID 90310850
2-[3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]ethanol
CID 90310858
2-[2-[4-(5-Aminopyrazin-2-yl)-3-fluorophenyl]phenoxy]ethanol
CID 90313622
1-[3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-morpholin-4-ylpropan-2-ol
CID 90310995
1-Phenoxy-3-[[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]amino]propan-2-ol
CID 172436526
1-[3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(methylamino)propan-2-ol
CID 90310580
1-[3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-piperidin-1-ylpropan-2-ol
CID 90310628
1-[3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-piperazin-1-ylpropan-2-ol
CID 90310699

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(methylamino)propan-2-ol?
The IUPAC name of 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(methylamino)propan-2-ol (CID 142794996) is 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(methylamino)propan-2-ol is CNCC(O)COc1ccc(C2CC(c3cnc(N)cn3)C2)cc1F.
What is the InChIKey of 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(methylamino)propan-2-ol?
The InChIKey is KSGFUKNRPOGKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-21-7-14(24)10-25-17-3-2-11(6-15(17)19)12-4-13(5-12)16-8-23-18(20)9-22-16/h2-3,6,8-9,12-14,21,24H,4-5,7,10H2,1H3,(H2,20,23).
What are the key properties of 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(methylamino)propan-2-ol?
1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(methylamino)propan-2-ol has a molecular weight of 346.41 g/mol, XLogP of 1.82, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 142794996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).