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

C19H22BrN5O3S — CID 10367866

IUPAC[1-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentyl]methanol
SMILESCS(=O)(=O)c1ccc(Nc2cc(NC3(CO)CCCC3)nc3c(Br)cnn23)cc1
InChIInChI=1S/C19H22BrN5O3S/c1-29(27,28)14-6-4-13(5-7-14)22-17-10-16(23-18-15(20)11-21-25(17)18)24-19(12-26)8-2-3-9-19/h4-7,10-11,22,26H,2-3,8-9,12H2,1H3,(H,23,24)
InChIKeyGRYWLDYPOJPGPF-UHFFFAOYSA-N
MW480.39 g/mol
LogP3.36
Rot. Bonds6

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

[1-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentyl]methanol (PubChem CID 10367866) 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]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentyl]methanol
PubChem CID10367866
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]amino]cyclopentyl]methanol
SMILESCS(=O)(=O)c1ccc(Nc2cc(NC3(CO)CCCC3)nc3c(Br)cnn23)cc1
InChIInChI=1S/C19H22BrN5O3S/c1-29(27,28)14-6-4-13(5-7-14)22-17-10-16(23-18-15(20)11-21-25(17)18)24-19(12-26)8-2-3-9-19/h4-7,10-11,22,26H,2-3,8-9,12H2,1H3,(H,23,24)
InChIKeyGRYWLDYPOJPGPF-UHFFFAOYSA-N
XLogP3.36
TPSA108.62 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.39
LogP ≤ 53.36
H-Bond Donors ≤ 53
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]amino]cyclopentyl]methanol?
The IUPAC name of [1-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentyl]methanol (CID 10367866) is [1-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentyl]methanol.
What is the SMILES notation for [1-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentyl]methanol?
The canonical SMILES for [1-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentyl]methanol is CS(=O)(=O)c1ccc(Nc2cc(NC3(CO)CCCC3)nc3c(Br)cnn23)cc1.
What is the InChIKey of [1-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentyl]methanol?
The InChIKey is GRYWLDYPOJPGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN5O3S/c1-29(27,28)14-6-4-13(5-7-14)22-17-10-16(23-18-15(20)11-21-25(17)18)24-19(12-26)8-2-3-9-19/h4-7,10-11,22,26H,2-3,8-9,12H2,1H3,(H,23,24).
What are the key properties of [1-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentyl]methanol?
[1-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentyl]methanol has a molecular weight of 480.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 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]amino]cyclopentyl]methanol is sourced from PubChem (CID 10367866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).