[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

C25H27FN6OS — CID 143945386

IUPAC[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
SMILESCc1cc(F)cc(CNc2nc(C)c(-c3nc4cnccc4s3)c(NC3CCC(CO)C3)n2)c1
InChIInChI=1S/C25H27FN6OS/c1-14-7-17(9-18(26)8-14)11-28-25-29-15(2)22(24-31-20-12-27-6-5-21(20)34-24)23(32-25)30-19-4-3-16(10-19)13-33/h5-9,12,16,19,33H,3-4,10-11,13H2,1-2H3,(H2,28,29,30,32)
InChIKeyNHEIJLBYYWVYIR-UHFFFAOYSA-N
MW478.60 g/mol
LogP5.09
Rot. Bonds7

About [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

[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 (PubChem CID 143945386) has the molecular formula C25H27FN6OS and a molecular weight of 478.60 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID143945386
Molecular FormulaC25H27FN6OS
Molecular Weight478.60 g/mol
Exact Mass478.20
IUPAC Name[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
SMILESCc1cc(F)cc(CNc2nc(C)c(-c3nc4cnccc4s3)c(NC3CCC(CO)C3)n2)c1
InChIInChI=1S/C25H27FN6OS/c1-14-7-17(9-18(26)8-14)11-28-25-29-15(2)22(24-31-20-12-27-6-5-21(20)34-24)23(32-25)30-19-4-3-16(10-19)13-33/h5-9,12,16,19,33H,3-4,10-11,13H2,1-2H3,(H2,28,29,30,32)
InChIKeyNHEIJLBYYWVYIR-UHFFFAOYSA-N
XLogP5.09
TPSA95.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [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 with MolForge

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Related Compounds

[(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
[(1R,3S)-3-[[5-(1,3-benzothiazol-2-yl)-6-methyl-2-[(4-methylthiophen-2-yl)methylamino]pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 70643925
1-[(1R,3S)-3-[[6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[[4-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]cyclopentyl]ethanol
CID 70919509
[(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
[(1R,3S)-3-[[5-(1,3-benzothiazol-2-yl)-2-(1,3-difluoropropan-2-ylamino)-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol
CID 70643853
[(1R,3S)-3-[[5-(1,3-benzothiazol-2-yl)-6-methyl-2-[(3-methylthiophen-2-yl)methylamino]pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 70643945
(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
[(1R,3S)-3-[[5-(1,3-benzothiazol-2-yl)-6-methyl-2-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 70643961
[(3S)-3-[[6-methyl-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)-2-(3,3,3-trifluoropropylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 143946314
(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
1-[[5-(1,3-benzothiazol-2-yl)-4-[[3-(hydroxymethyl)cyclopentyl]amino]-6-methylpyrimidin-2-yl]amino]-3-methoxypropan-2-ol
CID 143946734
[3-[[2-(cyclopropylamino)-6-methyl-5-[4-(2-methylpropyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 91228631

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cc1cc(F)cc(CNc2nc(C)c(-c3nc4cnccc4s3)c(NC3CCC(CO)C3)n2)c1.
What is the InChIKey of [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?
The InChIKey is NHEIJLBYYWVYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6OS/c1-14-7-17(9-18(26)8-14)11-28-25-29-15(2)22(24-31-20-12-27-6-5-21(20)34-24)23(32-25)30-19-4-3-16(10-19)13-33/h5-9,12,16,19,33H,3-4,10-11,13H2,1-2H3,(H2,28,29,30,32).
What are the key properties of [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?
[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 has a molecular weight of 478.60 g/mol, XLogP of 5.09, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 143945386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).