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

C20H27FN4O2 — CID 142794903

IUPAC1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1ccc(C2CC(c3cnc(N)cn3)C2)cc1F
InChIInChI=1S/C20H27FN4O2/c1-12(2)23-8-16(26)11-27-19-4-3-13(7-17(19)21)14-5-15(6-14)18-9-25-20(22)10-24-18/h3-4,7,9-10,12,14-16,23,26H,5-6,8,11H2,1-2H3,(H2,22,25)
InChIKeyCQRDYNIFGIVBON-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.60
Rot. Bonds8

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

1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 142794903) has the molecular formula C20H27FN4O2 and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol
PubChem CID142794903
Molecular FormulaC20H27FN4O2
Molecular Weight374.46 g/mol
Exact Mass374.21
IUPAC Name1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1ccc(C2CC(c3cnc(N)cn3)C2)cc1F
InChIInChI=1S/C20H27FN4O2/c1-12(2)23-8-16(26)11-27-19-4-3-13(7-17(19)21)14-5-15(6-14)18-9-25-20(22)10-24-18/h3-4,7,9-10,12,14-16,23,26H,5-6,8,11H2,1-2H3,(H2,22,25)
InChIKeyCQRDYNIFGIVBON-UHFFFAOYSA-N
XLogP2.60
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol with MolForge

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Related Compounds

3-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]propane-1,2-diol
CID 142794915
1-(4-amino-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 154192524
1-(4-amino-2-chlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 154089676
1-(4-aminonaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 90672310
1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 2919059
(2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 91927663
1-[5-amino-2-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one
CID 125483290
1-[5-amino-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one
CID 165343405
1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
CID 3015023
1-(2-tert-butyl-4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 22419817
1-(2-amino-5-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 154089660
1-[[(1S)-1-cyclopentylethyl]amino]-3-(2-fluorophenoxy)propan-2-ol
CID 81395407

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol (CID 142794903) is 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)COc1ccc(C2CC(c3cnc(N)cn3)C2)cc1F.
What is the InChIKey of 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is CQRDYNIFGIVBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O2/c1-12(2)23-8-16(26)11-27-19-4-3-13(7-17(19)21)14-5-15(6-14)18-9-25-20(22)10-24-18/h3-4,7,9-10,12,14-16,23,26H,5-6,8,11H2,1-2H3,(H2,22,25).
What are the key properties of 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol?
1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 374.46 g/mol, XLogP of 2.60, 8 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-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 142794903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).