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

C21H25F3N6OS — CID 70643970

IUPAC[(1R,3S)-3-[[5-(4-ethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
SMILESCCc1nccc2sc(-c3c(C)nc(NCC(F)(F)F)nc3N[C@H]3CC[C@@H](CO)C3)nc12
InChIInChI=1S/C21H25F3N6OS/c1-3-14-17-15(6-7-25-14)32-19(29-17)16-11(2)27-20(26-10-21(22,23)24)30-18(16)28-13-5-4-12(8-13)9-31/h6-7,12-13,31H,3-5,8-10H2,1-2H3,(H2,26,27,28,30)/t12-,13+/m1/s1
InChIKeyLGCINTZPGNACTN-OLZOCXBDSA-N
MW466.53 g/mol
LogP4.57
Rot. Bonds7

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

[(1R,3S)-3-[[5-(4-ethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol (PubChem CID 70643970) has the molecular formula C21H25F3N6OS and a molecular weight of 466.53 g/mol. Its IUPAC name is [(1R,3S)-3-[[5-(4-ethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,3S)-3-[[5-(4-ethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
PubChem CID70643970
Molecular FormulaC21H25F3N6OS
Molecular Weight466.53 g/mol
Exact Mass466.18
IUPAC Name[(1R,3S)-3-[[5-(4-ethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
SMILESCCc1nccc2sc(-c3c(C)nc(NCC(F)(F)F)nc3N[C@H]3CC[C@@H](CO)C3)nc12
InChIInChI=1S/C21H25F3N6OS/c1-3-14-17-15(6-7-25-14)32-19(29-17)16-11(2)27-20(26-10-21(22,23)24)30-18(16)28-13-5-4-12(8-13)9-31/h6-7,12-13,31H,3-5,8-10H2,1-2H3,(H2,26,27,28,30)/t12-,13+/m1/s1
InChIKeyLGCINTZPGNACTN-OLZOCXBDSA-N
XLogP4.57
TPSA95.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-[[4-Benzyl-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 46913758
(1R,2S,3R,5R)-3-[[2-[(2,6-difluorophenyl)methylamino]-6-methyl-5-thiazolo[4,5-c]pyridin-2-yl-pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 58570762
(1R,2S,3R,5R)-3-[[2-[(2,6-dimethyl-4-pyridinyl)amino]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 73442898
(1R,2S,3R,5R)-3-[[5-(1,3-benzothiazol-2-yl)-2-[(2,6-dimethyl-4-pyridinyl)amino]pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 73670011
(1R,2S,5R)-3-[[5-(1,3-benzothiazol-2-yl)-2-[(2,6-dimethyl-4-pyridinyl)amino]pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride
CID 118719439
4-[[4-Benzyl-6-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 46912278
(1R,2S,3R,5S)-3-[[2-(cyclopropylmethylamino)-6-methyl-5-(4-methylthiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(1-hydroxy-1-methyl-ethyl)cyclopentane-1,2-diol
CID 53373656
(1S,2R,3S,5R)-3-(1-hydroxy-1-methyl-ethyl)-5-[[6-methyl-5-(4-methylthiazolo[4,5-c]pyridin-2-yl)-2-[(2,4,6-trifluorophenyl)methylamino]pyrimidin-4-yl]amino]cyclopentane-1,2-diol
CID 53373871
(1R,2S,3R,5S)-3-[[2-(cyclopropylmethylamino)-6-methyl-5-(4-methylthiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(1-ethyl-1-hydroxy-propyl)cyclopentane-1,2-diol
CID 53373873
(1R,2S,3R,5S)-3-[[2-(cyclopropylmethylamino)-6-methyl-5-(4-methylthiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-[1-hydroxy-2-methoxy-1-(methoxymethyl)ethyl]cyclopentane-1,2-diol
CID 53374206
(1R,2S,3R,5S)-3-[[2-(2-ethoxyethylamino)-6-methyl-5-(4-methylthiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-[1-hydroxy-2-methoxy-1-(methoxymethyl)ethyl]cyclopentane-1,2-diol
CID 53374300
(1R,2S,3R,5S)-3-[[2-amino-6-methyl-5-(4-methylthiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(1-hydroxy-1-methyl-ethyl)cyclopentane-1,2-diol
CID 53374301

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[[5-(4-ethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol?
The IUPAC name of [(1R,3S)-3-[[5-(4-ethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol (CID 70643970) is [(1R,3S)-3-[[5-(4-ethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol.
What is the SMILES notation for [(1R,3S)-3-[[5-(4-ethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol?
The canonical SMILES for [(1R,3S)-3-[[5-(4-ethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol is CCc1nccc2sc(-c3c(C)nc(NCC(F)(F)F)nc3N[C@H]3CC[C@@H](CO)C3)nc12.
What is the InChIKey of [(1R,3S)-3-[[5-(4-ethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol?
The InChIKey is LGCINTZPGNACTN-OLZOCXBDSA-N. The full InChI is InChI=1S/C21H25F3N6OS/c1-3-14-17-15(6-7-25-14)32-19(29-17)16-11(2)27-20(26-10-21(22,23)24)30-18(16)28-13-5-4-12(8-13)9-31/h6-7,12-13,31H,3-5,8-10H2,1-2H3,(H2,26,27,28,30)/t12-,13+/m1/s1.
What are the key properties of [(1R,3S)-3-[[5-(4-ethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol?
[(1R,3S)-3-[[5-(4-ethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol has a molecular weight of 466.53 g/mol, XLogP of 4.57, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[[5-(4-ethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol is sourced from PubChem (CID 70643970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).