[(1R,2R,3S,4R)-2,3-dihydroxy-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate

C18H19F3N6O5S — CID 71715485

IUPAC[(1R,2R,3S,4R)-2,3-dihydroxy-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate
SMILESNS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(C(F)(F)F)n4)nn23)[C@H](O)[C@@H]1O
InChIInChI=1S/C18H19F3N6O5S/c19-18(20,21)13-3-1-2-10(24-13)11-7-15-23-5-4-14(27(15)26-11)25-12-6-9(16(28)17(12)29)8-32-33(22,30)31/h1-5,7,9,12,16-17,25,28-29H,6,8H2,(H2,22,30,31)/t9-,12-,16-,17+/m1/s1
InChIKeyPRMHMOBKWNLIGR-OZICKRJKSA-N
MW488.45 g/mol
LogP0.55
Rot. Bonds6

About [(1R,2R,3S,4R)-2,3-dihydroxy-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate

[(1R,2R,3S,4R)-2,3-dihydroxy-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate (PubChem CID 71715485) has the molecular formula C18H19F3N6O5S and a molecular weight of 488.45 g/mol. Its IUPAC name is [(1R,2R,3S,4R)-2,3-dihydroxy-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate.

Molecular Properties

Compound Name[(1R,2R,3S,4R)-2,3-dihydroxy-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate
PubChem CID71715485
Molecular FormulaC18H19F3N6O5S
Molecular Weight488.45 g/mol
Exact Mass488.11
IUPAC Name[(1R,2R,3S,4R)-2,3-dihydroxy-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate
SMILESNS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(C(F)(F)F)n4)nn23)[C@H](O)[C@@H]1O
InChIInChI=1S/C18H19F3N6O5S/c19-18(20,21)13-3-1-2-10(24-13)11-7-15-23-5-4-14(27(15)26-11)25-12-6-9(16(28)17(12)29)8-32-33(22,30)31/h1-5,7,9,12,16-17,25,28-29H,6,8H2,(H2,22,30,31)/t9-,12-,16-,17+/m1/s1
InChIKeyPRMHMOBKWNLIGR-OZICKRJKSA-N
XLogP0.55
TPSA164.96 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.45
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze [(1R,2R,3S,4R)-2,3-dihydroxy-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate with MolForge

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Launch Full Analysis

Related Compounds

Tak-243
CID 71715374
(1R,2S,3R,5R)-3-[[2-[(2,6-dimethyl-4-pyridinyl)amino]-5-pyrazol-1-ylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 73670851
((1R,2R,3S,4R)-2,3-dihydroxy-4-([2-(1-naphthyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino)cyclopentyl)methyl sulfamate
CID 71666343
(rac)((1R,2R,3S,4R)-4-(2-(biphenyl-3-yl)pyrazolo[1,5-a]pyrimidin-7-ylamino)-2,3-
CID 71715083
(rac)-{(1R,2R,3S,4R)-2,3-dihydroxy-4-[(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-
CID 71715084
methyl ((1S,2R,3S,4R)-2,3-dihydroxy-4-((2-(3-((trifluoromethyl)thio)phenyl)pyrazolo[1,5-a]pyrimidin-7-yl)amino)cyclopentyl)sulfamate
CID 91885499
(1R,2S,3R,5R)-3-[(2-amino-5-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 118729811
(rac)-((1R,2R,3S,4R)-2,3-Dihydroxy-4-((2-(5-(trifluoromethyl)thiophen-2-
CID 71715212
(rac)-((1R,2R,3S,4R)-4-((2-(2-Chloro-5-(trifluoromethyl)phenyl)pyrazolo[1,5-
CID 71715266
(rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(5-(trifluoromethyl)quinolin-8-
CID 71715316
(rac)-((1R,2R,3S,4R)-2,3-Dihydroxy-4-((2-(3-(trifluoromethoxy)phenyl)pyrazolo[1,5-
CID 71715372
(rac)-((1R,2R,3S,4R)-4-((2-(3-(Difluoromethoxy)phenyl)pyrazolo[1,5-a-]pyrimidin-7-
CID 71715432

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3S,4R)-2,3-dihydroxy-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate?
The IUPAC name of [(1R,2R,3S,4R)-2,3-dihydroxy-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate (CID 71715485) is [(1R,2R,3S,4R)-2,3-dihydroxy-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate.
What is the SMILES notation for [(1R,2R,3S,4R)-2,3-dihydroxy-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate?
The canonical SMILES for [(1R,2R,3S,4R)-2,3-dihydroxy-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate is NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(C(F)(F)F)n4)nn23)[C@H](O)[C@@H]1O.
What is the InChIKey of [(1R,2R,3S,4R)-2,3-dihydroxy-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate?
The InChIKey is PRMHMOBKWNLIGR-OZICKRJKSA-N. The full InChI is InChI=1S/C18H19F3N6O5S/c19-18(20,21)13-3-1-2-10(24-13)11-7-15-23-5-4-14(27(15)26-11)25-12-6-9(16(28)17(12)29)8-32-33(22,30)31/h1-5,7,9,12,16-17,25,28-29H,6,8H2,(H2,22,30,31)/t9-,12-,16-,17+/m1/s1.
What are the key properties of [(1R,2R,3S,4R)-2,3-dihydroxy-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate?
[(1R,2R,3S,4R)-2,3-dihydroxy-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate has a molecular weight of 488.45 g/mol, XLogP of 0.55, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3S,4R)-2,3-dihydroxy-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate is sourced from PubChem (CID 71715485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).