[1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol

C19H22BrN5O3S — CID 10435272

IUPAC[1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol
SMILESCS(=O)(=O)c1ccc(Nc2cc(N3CCCCC3CO)nc3c(Br)cnn23)cc1
InChIInChI=1S/C19H22BrN5O3S/c1-29(27,28)15-7-5-13(6-8-15)22-18-10-17(23-19-16(20)11-21-25(18)19)24-9-3-2-4-14(24)12-26/h5-8,10-11,14,22,26H,2-4,9,12H2,1H3
InChIKeyYBWUDLNYTWRFKG-UHFFFAOYSA-N
MW480.39 g/mol
LogP2.99
Rot. Bonds5

About [1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol

[1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol (PubChem CID 10435272) has the molecular formula C19H22BrN5O3S and a molecular weight of 480.39 g/mol. Its IUPAC name is [1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol
PubChem CID10435272
Molecular FormulaC19H22BrN5O3S
Molecular Weight480.39 g/mol
Exact Mass479.06
IUPAC Name[1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol
SMILESCS(=O)(=O)c1ccc(Nc2cc(N3CCCCC3CO)nc3c(Br)cnn23)cc1
InChIInChI=1S/C19H22BrN5O3S/c1-29(27,28)15-7-5-13(6-8-15)22-18-10-17(23-19-16(20)11-21-25(18)19)24-9-3-2-4-14(24)12-26/h5-8,10-11,14,22,26H,2-4,9,12H2,1H3
InChIKeyYBWUDLNYTWRFKG-UHFFFAOYSA-N
XLogP2.99
TPSA99.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol?
The IUPAC name of [1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol (CID 10435272) is [1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol is CS(=O)(=O)c1ccc(Nc2cc(N3CCCCC3CO)nc3c(Br)cnn23)cc1.
What is the InChIKey of [1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol?
The InChIKey is YBWUDLNYTWRFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN5O3S/c1-29(27,28)15-7-5-13(6-8-15)22-18-10-17(23-19-16(20)11-21-25(18)19)24-9-3-2-4-14(24)12-26/h5-8,10-11,14,22,26H,2-4,9,12H2,1H3.
What are the key properties of [1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol?
[1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol has a molecular weight of 480.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol is sourced from PubChem (CID 10435272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).