[(1R)-3-methyl-4-[[6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol

C20H23F3N6OS — CID 143946088

IUPAC[(1R)-3-methyl-4-[[6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
SMILESCc1nc(NCC(F)(F)F)nc(NC2C[C@H](CO)CC2C)c1-c1nc2cnccc2s1
InChIInChI=1S/C20H23F3N6OS/c1-10-5-12(8-30)6-13(10)27-17-16(18-28-14-7-24-4-3-15(14)31-18)11(2)26-19(29-17)25-9-20(21,22)23/h3-4,7,10,12-13,30H,5-6,8-9H2,1-2H3,(H2,25,26,27,29)/t10?,12-,13?/m1/s1
InChIKeyAEXUOEQQLCDSHQ-YXMLORGKSA-N
MW452.51 g/mol
LogP4.25
Rot. Bonds6

About [(1R)-3-methyl-4-[[6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol

[(1R)-3-methyl-4-[[6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol (PubChem CID 143946088) has the molecular formula C20H23F3N6OS and a molecular weight of 452.51 g/mol. Its IUPAC name is [(1R)-3-methyl-4-[[6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R)-3-methyl-4-[[6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
PubChem CID143946088
Molecular FormulaC20H23F3N6OS
Molecular Weight452.51 g/mol
Exact Mass452.16
IUPAC Name[(1R)-3-methyl-4-[[6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
SMILESCc1nc(NCC(F)(F)F)nc(NC2C[C@H](CO)CC2C)c1-c1nc2cnccc2s1
InChIInChI=1S/C20H23F3N6OS/c1-10-5-12(8-30)6-13(10)27-17-16(18-28-14-7-24-4-3-15(14)31-18)11(2)26-19(29-17)25-9-20(21,22)23/h3-4,7,10,12-13,30H,5-6,8-9H2,1-2H3,(H2,25,26,27,29)/t10?,12-,13?/m1/s1
InChIKeyAEXUOEQQLCDSHQ-YXMLORGKSA-N
XLogP4.25
TPSA95.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [(1R)-3-methyl-4-[[6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol with MolForge

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Related Compounds

(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentane-1,2-diol;hydrochloride
CID 70693120
(1R,2S,3R,5R)-3-[[2-[(3-cyclopropyl-2,2-dimethylpropyl)amino]-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 58570821
[3-[[2-[(3-fluoro-5-methylphenyl)methylamino]-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 143945386
trans-(1R,3R)-3-[[5-(1,3-benzothiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentane-1,2-diol
CID 58570288
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-5-[5-(methylamino)-1,3-benzothiazol-2-yl]-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentane-1,2-diol
CID 58570770
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[2-(methoxymethyl)butylamino]-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol
CID 122527755
3-(hydroxymethyl)-5-[[6-methyl-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentane-1,2-diol
CID 76832954
[4-[[5-(1,3-benzothiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol
CID 76833026
1-[3-[[5-(1,3-benzothiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]-4-hydroxycyclopentyl]ethanone
CID 90983105
[(1R,3S)-3-[[2-(3-fluoroanilino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 70643890
[(1S,3R,4R)-3-[[5-(1,3-benzothiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]-4-hydroxycyclopentyl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 70919383
(1R,2S,3R)-3-[[6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2-(thiophen-2-ylmethylamino)pyrimidin-4-yl]amino]cyclopentane-1,2-diol
CID 58570950

Frequently Asked Questions

What is the IUPAC name of [(1R)-3-methyl-4-[[6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol?
The IUPAC name of [(1R)-3-methyl-4-[[6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol (CID 143946088) is [(1R)-3-methyl-4-[[6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol.
What is the SMILES notation for [(1R)-3-methyl-4-[[6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol?
The canonical SMILES for [(1R)-3-methyl-4-[[6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol is Cc1nc(NCC(F)(F)F)nc(NC2C[C@H](CO)CC2C)c1-c1nc2cnccc2s1.
What is the InChIKey of [(1R)-3-methyl-4-[[6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol?
The InChIKey is AEXUOEQQLCDSHQ-YXMLORGKSA-N. The full InChI is InChI=1S/C20H23F3N6OS/c1-10-5-12(8-30)6-13(10)27-17-16(18-28-14-7-24-4-3-15(14)31-18)11(2)26-19(29-17)25-9-20(21,22)23/h3-4,7,10,12-13,30H,5-6,8-9H2,1-2H3,(H2,25,26,27,29)/t10?,12-,13?/m1/s1.
What are the key properties of [(1R)-3-methyl-4-[[6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol?
[(1R)-3-methyl-4-[[6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol has a molecular weight of 452.51 g/mol, XLogP of 4.25, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3-methyl-4-[[6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol is sourced from PubChem (CID 143946088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).