methyl 2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-1-methyl-3-oxo-1H-isoindol-2-yl]acetate

C25H27N3O6 — CID 118418406

IUPACmethyl 2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-1-methyl-3-oxo-1H-isoindol-2-yl]acetate
SMILESCOC(=O)CN1C(=O)c2cc(N3CC[C@@H](Oc4ccc(OCC5CC5)nc4)C3=O)ccc2C1C
InChIInChI=1S/C25H27N3O6/c1-15-19-7-5-17(11-20(19)24(30)28(15)13-23(29)32-2)27-10-9-21(25(27)31)34-18-6-8-22(26-12-18)33-14-16-3-4-16/h5-8,11-12,15-16,21H,3-4,9-10,13-14H2,1-2H3/t15?,21-/m1/s1
InChIKeyCYQHVUKPKRCBEC-MZVUKIKXSA-N
MW465.51 g/mol
LogP2.74
Rot. Bonds8

About methyl 2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-1-methyl-3-oxo-1H-isoindol-2-yl]acetate

methyl 2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-1-methyl-3-oxo-1H-isoindol-2-yl]acetate (PubChem CID 118418406) has the molecular formula C25H27N3O6 and a molecular weight of 465.51 g/mol. Its IUPAC name is methyl 2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-1-methyl-3-oxo-1H-isoindol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-1-methyl-3-oxo-1H-isoindol-2-yl]acetate
PubChem CID118418406
Molecular FormulaC25H27N3O6
Molecular Weight465.51 g/mol
Exact Mass465.19
IUPAC Namemethyl 2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-1-methyl-3-oxo-1H-isoindol-2-yl]acetate
SMILESCOC(=O)CN1C(=O)c2cc(N3CC[C@@H](Oc4ccc(OCC5CC5)nc4)C3=O)ccc2C1C
InChIInChI=1S/C25H27N3O6/c1-15-19-7-5-17(11-20(19)24(30)28(15)13-23(29)32-2)27-10-9-21(25(27)31)34-18-6-8-22(26-12-18)33-14-16-3-4-16/h5-8,11-12,15-16,21H,3-4,9-10,13-14H2,1-2H3/t15?,21-/m1/s1
InChIKeyCYQHVUKPKRCBEC-MZVUKIKXSA-N
XLogP2.74
TPSA98.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-1-methyl-3-oxo-1H-isoindol-2-yl]acetate with MolForge

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Related Compounds

2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]acetic acid
CID 118418381
2-[5-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]benzotriazol-2-yl]acetic acid
CID 123455305
2-[5-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-(2-hydroxyethyl)-N-methylacetamide
CID 123440471
2-[3-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide
CID 118418329
6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-N,N,1-trimethyl-4-oxo-2,3-dihydroquinazoline-2-carboxamide
CID 118425755
methyl 1-[5-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxylate
CID 135306598
1-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-fluoro-2-pyridinyl]-N,N-dimethylazetidine-3-carboxamide
CID 139437081
2-[5-[3-[[6-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1,2-dihydroinden-1-yl]acetic acid
CID 123278796
2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide
CID 126482608
2-[5-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-7-fluoro-3-oxo-1,2-dihydroinden-1-yl]-N,N-dimethylacetamide
CID 123613875
(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-1-[7-fluoro-3-oxo-2-(2-oxopropyl)-1,2-dihydroinden-5-yl]pyrrolidin-2-one
CID 118427334
ethyl 2-[3-oxo-5-[(3R)-2-oxo-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetate
CID 126483218

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-1-methyl-3-oxo-1H-isoindol-2-yl]acetate?
The IUPAC name of methyl 2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-1-methyl-3-oxo-1H-isoindol-2-yl]acetate (CID 118418406) is methyl 2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-1-methyl-3-oxo-1H-isoindol-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-1-methyl-3-oxo-1H-isoindol-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-1-methyl-3-oxo-1H-isoindol-2-yl]acetate is COC(=O)CN1C(=O)c2cc(N3CC[C@@H](Oc4ccc(OCC5CC5)nc4)C3=O)ccc2C1C.
What is the InChIKey of methyl 2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-1-methyl-3-oxo-1H-isoindol-2-yl]acetate?
The InChIKey is CYQHVUKPKRCBEC-MZVUKIKXSA-N. The full InChI is InChI=1S/C25H27N3O6/c1-15-19-7-5-17(11-20(19)24(30)28(15)13-23(29)32-2)27-10-9-21(25(27)31)34-18-6-8-22(26-12-18)33-14-16-3-4-16/h5-8,11-12,15-16,21H,3-4,9-10,13-14H2,1-2H3/t15?,21-/m1/s1.
What are the key properties of methyl 2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-1-methyl-3-oxo-1H-isoindol-2-yl]acetate?
methyl 2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-1-methyl-3-oxo-1H-isoindol-2-yl]acetate has a molecular weight of 465.51 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-1-methyl-3-oxo-1H-isoindol-2-yl]acetate is sourced from PubChem (CID 118418406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).