(4R)-4-[(1R)-1-[6-[2-(difluoromethyl)-1,3-thiazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1,3-thiazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one

C35H36F2N8O4S2 — CID 144922950

IUPAC(4R)-4-[(1R)-1-[6-[2-(difluoromethyl)-1,3-thiazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1,3-thiazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2csc(C(F)F)n2)cc2nn(C)cc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2cscn2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C18H18F2N4O2S.C17H18N4O2S/c1-9(11-5-16(25)21-6-11)26-15-4-10(3-13-12(15)7-24(2)23-13)14-8-27-18(22-14)17(19)20;1-10(12-5-17(22)18-6-12)23-16-4-11(15-8-24-9-19-15)3-14-13(16)7-21(2)20-14/h3-4,7-9,11,17H,5-6H2,1-2H3,(H,21,25);3-4,7-10,12H,5-6H2,1-2H3,(H,18,22)/t9-,11-;10-,12-/m11/s1
InChIKeyGAJSXXAVPYKKSR-CVTGNHHYSA-N
MW734.86 g/mol
LogP6.14
Rot. Bonds9

About (4R)-4-[(1R)-1-[6-[2-(difluoromethyl)-1,3-thiazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1,3-thiazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[6-[2-(difluoromethyl)-1,3-thiazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1,3-thiazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 144922950) has the molecular formula C35H36F2N8O4S2 and a molecular weight of 734.86 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[6-[2-(difluoromethyl)-1,3-thiazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1,3-thiazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[6-[2-(difluoromethyl)-1,3-thiazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1,3-thiazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID144922950
Molecular FormulaC35H36F2N8O4S2
Molecular Weight734.86 g/mol
Exact Mass734.23
IUPAC Name(4R)-4-[(1R)-1-[6-[2-(difluoromethyl)-1,3-thiazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1,3-thiazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2csc(C(F)F)n2)cc2nn(C)cc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2cscn2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C18H18F2N4O2S.C17H18N4O2S/c1-9(11-5-16(25)21-6-11)26-15-4-10(3-13-12(15)7-24(2)23-13)14-8-27-18(22-14)17(19)20;1-10(12-5-17(22)18-6-12)23-16-4-11(15-8-24-9-19-15)3-14-13(16)7-21(2)20-14/h3-4,7-9,11,17H,5-6H2,1-2H3,(H,21,25);3-4,7-10,12H,5-6H2,1-2H3,(H,18,22)/t9-,11-;10-,12-/m11/s1
InChIKeyGAJSXXAVPYKKSR-CVTGNHHYSA-N
XLogP6.14
TPSA138.08 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500734.86
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze (4R)-4-[(1R)-1-[6-[2-(difluoromethyl)-1,3-thiazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1,3-thiazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one with MolForge

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Related Compounds

US9914735, Example 35
CID 118401370
(4R)-4-[(1R)-1-[[5-(1-methylpyrazol-4-yl)-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one
CID 122191640
(4R)-4-[(1R)-1-[[6-[1-(difluoromethyl)pyrazol-4-yl]-2,1-benzothiazol-4-yl]oxy]ethyl]pyrrolidin-2-one
CID 122191644
US9914735, Example 29
CID 118386424
(4R)-4-[(1R)-1-[[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one
CID 117842936
4-[(1R)-1-[[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one
CID 117842937
(4R)-4-[(1R)-1-[[5-[1-(difluoromethyl)pyrazol-4-yl]-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one
CID 117842964
4-[(1R)-1-[[5-[1-(difluoromethyl)pyrazol-4-yl]-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one
CID 117842965
(4S)-4-[(1S)-1-[[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one
CID 117851191
(4R)-4-[1-[6-[2-(difluoromethyl)-1,3-thiazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one
CID 118401458
4-[1-[[5-[1-(2,2-Difluoroethyl)pyrazol-4-yl]-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one
CID 123627637
4-[1-[6-[2-(Difluoromethyl)-1,3-thiazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one
CID 123929012

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[6-[2-(difluoromethyl)-1,3-thiazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1,3-thiazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[6-[2-(difluoromethyl)-1,3-thiazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1,3-thiazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one (CID 144922950) is (4R)-4-[(1R)-1-[6-[2-(difluoromethyl)-1,3-thiazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1,3-thiazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[6-[2-(difluoromethyl)-1,3-thiazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1,3-thiazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[6-[2-(difluoromethyl)-1,3-thiazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1,3-thiazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1cc(-c2csc(C(F)F)n2)cc2nn(C)cc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2cscn2)cc2nn(C)cc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[6-[2-(difluoromethyl)-1,3-thiazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1,3-thiazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is GAJSXXAVPYKKSR-CVTGNHHYSA-N. The full InChI is InChI=1S/C18H18F2N4O2S.C17H18N4O2S/c1-9(11-5-16(25)21-6-11)26-15-4-10(3-13-12(15)7-24(2)23-13)14-8-27-18(22-14)17(19)20;1-10(12-5-17(22)18-6-12)23-16-4-11(15-8-24-9-19-15)3-14-13(16)7-21(2)20-14/h3-4,7-9,11,17H,5-6H2,1-2H3,(H,21,25);3-4,7-10,12H,5-6H2,1-2H3,(H,18,22)/t9-,11-;10-,12-/m11/s1.
What are the key properties of (4R)-4-[(1R)-1-[6-[2-(difluoromethyl)-1,3-thiazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1,3-thiazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[6-[2-(difluoromethyl)-1,3-thiazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1,3-thiazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 734.86 g/mol, XLogP of 6.14, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[6-[2-(difluoromethyl)-1,3-thiazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[2-methyl-6-(1,3-thiazol-4-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 144922950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).