2-[2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]ethanol

C20H24BrN5O — CID 59023310

IUPAC2-[2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]ethanol
SMILESOCCC1CCCCC1c1cc(NCc2cccnc2)n2ncc(Br)c2n1
InChIInChI=1S/C20H24BrN5O/c21-17-13-24-26-19(23-12-14-4-3-8-22-11-14)10-18(25-20(17)26)16-6-2-1-5-15(16)7-9-27/h3-4,8,10-11,13,15-16,23,27H,1-2,5-7,9,12H2
InChIKeyKRHJMKAMMGROTG-UHFFFAOYSA-N
MW430.35 g/mol
LogP4.16
Rot. Bonds6

About 2-[2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]ethanol

2-[2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]ethanol (PubChem CID 59023310) has the molecular formula C20H24BrN5O and a molecular weight of 430.35 g/mol. Its IUPAC name is 2-[2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]ethanol
PubChem CID59023310
Molecular FormulaC20H24BrN5O
Molecular Weight430.35 g/mol
Exact Mass429.12
IUPAC Name2-[2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]ethanol
SMILESOCCC1CCCCC1c1cc(NCc2cccnc2)n2ncc(Br)c2n1
InChIInChI=1S/C20H24BrN5O/c21-17-13-24-26-19(23-12-14-4-3-8-22-11-14)10-18(25-20(17)26)16-6-2-1-5-15(16)7-9-27/h3-4,8,10-11,13,15-16,23,27H,1-2,5-7,9,12H2
InChIKeyKRHJMKAMMGROTG-UHFFFAOYSA-N
XLogP4.16
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]ethanol?
The IUPAC name of 2-[2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]ethanol (CID 59023310) is 2-[2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]ethanol.
What is the SMILES notation for 2-[2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]ethanol?
The canonical SMILES for 2-[2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]ethanol is OCCC1CCCCC1c1cc(NCc2cccnc2)n2ncc(Br)c2n1.
What is the InChIKey of 2-[2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]ethanol?
The InChIKey is KRHJMKAMMGROTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN5O/c21-17-13-24-26-19(23-12-14-4-3-8-22-11-14)10-18(25-20(17)26)16-6-2-1-5-15(16)7-9-27/h3-4,8,10-11,13,15-16,23,27H,1-2,5-7,9,12H2.
What are the key properties of 2-[2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]ethanol?
2-[2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]ethanol has a molecular weight of 430.35 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]ethanol is sourced from PubChem (CID 59023310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).