[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol;[7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol

C26H25BrN10O2 — CID 157262286

IUPAC[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol;[7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol
SMILESOCc1cc(NCc2cccnc2)n2ncc(Br)c2n1.OCc1cc(NCc2cccnc2)n2nccc2n1
InChIInChI=1S/C13H12BrN5O.C13H13N5O/c14-11-7-17-19-12(4-10(8-20)18-13(11)19)16-6-9-2-1-3-15-5-9;19-9-11-6-13(18-12(17-11)3-5-16-18)15-8-10-2-1-4-14-7-10/h1-5,7,16,20H,6,8H2;1-7,15,19H,8-9H2
InChIKeyAXPFPPIHKCBKKY-UHFFFAOYSA-N
MW589.46 g/mol
LogP3.22
Rot. Bonds8

About [3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol;[7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol

[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol;[7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol (PubChem CID 157262286) has the molecular formula C26H25BrN10O2 and a molecular weight of 589.46 g/mol. Its IUPAC name is [3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol;[7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol;[7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol
PubChem CID157262286
Molecular FormulaC26H25BrN10O2
Molecular Weight589.46 g/mol
Exact Mass588.13
IUPAC Name[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol;[7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol
SMILESOCc1cc(NCc2cccnc2)n2ncc(Br)c2n1.OCc1cc(NCc2cccnc2)n2nccc2n1
InChIInChI=1S/C13H12BrN5O.C13H13N5O/c14-11-7-17-19-12(4-10(8-20)18-13(11)19)16-6-9-2-1-3-15-5-9;19-9-11-6-13(18-12(17-11)3-5-16-18)15-8-10-2-1-4-14-7-10/h1-5,7,16,20H,6,8H2;1-7,15,19H,8-9H2
InChIKeyAXPFPPIHKCBKKY-UHFFFAOYSA-N
XLogP3.22
TPSA150.68 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.46
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Related Compounds

2-[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]propyl-propylamino]ethanol
CID 71058457
2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylpropan-1-ol
CID 11292240
3-bromo-5-(2-bromophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066638
(2R)-2-amino-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol
CID 70806600
3-bromo-5-tert-butylsulfanyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21067175
3-bromo-5-N-cyclohexyl-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 21067210
3-bromo-5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;pyridine
CID 143440446
[(1S,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol
CID 11154670
1-[4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-1-ium-1-yl]ethanone
CID 58828967
3-bromo-5-N-[chloro(phenyl)methyl]-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 143441130
2-[(1S)-2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]propan-2-ol
CID 58781382
5-(2-bicyclo[2.2.1]heptanyl)-3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21067044

Frequently Asked Questions

What is the IUPAC name of [3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol;[7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol?
The IUPAC name of [3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol;[7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol (CID 157262286) is [3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol;[7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol.
What is the SMILES notation for [3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol;[7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol?
The canonical SMILES for [3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol;[7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol is OCc1cc(NCc2cccnc2)n2ncc(Br)c2n1.OCc1cc(NCc2cccnc2)n2nccc2n1.
What is the InChIKey of [3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol;[7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol?
The InChIKey is AXPFPPIHKCBKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN5O.C13H13N5O/c14-11-7-17-19-12(4-10(8-20)18-13(11)19)16-6-9-2-1-3-15-5-9;19-9-11-6-13(18-12(17-11)3-5-16-18)15-8-10-2-1-4-14-7-10/h1-5,7,16,20H,6,8H2;1-7,15,19H,8-9H2.
What are the key properties of [3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol;[7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol?
[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol;[7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol has a molecular weight of 589.46 g/mol, XLogP of 3.22, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol;[7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol is sourced from PubChem (CID 157262286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).