N,N-diethyl-2-[7-fluoro-3-oxo-5-[(3R)-2-oxo-3-[(6-propoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide

C26H31FN4O5 — CID 135191088

IUPACN,N-diethyl-2-[7-fluoro-3-oxo-5-[(3R)-2-oxo-3-[(6-propoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide
SMILESCCCOc1ccc(O[C@@H]2CCN(c3cc(F)c4c(c3)C(=O)N(CC(=O)N(CC)CC)C4)C2=O)cn1
InChIInChI=1S/C26H31FN4O5/c1-4-11-35-23-8-7-18(14-28-23)36-22-9-10-31(26(22)34)17-12-19-20(21(27)13-17)15-30(25(19)33)16-24(32)29(5-2)6-3/h7-8,12-14,22H,4-6,9-11,15-16H2,1-3H3/t22-/m1/s1
InChIKeyBJGGRSILHDPDCA-JOCHJYFZSA-N
MW498.56 g/mol
LogP3.02
Rot. Bonds10

About N,N-diethyl-2-[7-fluoro-3-oxo-5-[(3R)-2-oxo-3-[(6-propoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide

N,N-diethyl-2-[7-fluoro-3-oxo-5-[(3R)-2-oxo-3-[(6-propoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide (PubChem CID 135191088) has the molecular formula C26H31FN4O5 and a molecular weight of 498.56 g/mol. Its IUPAC name is N,N-diethyl-2-[7-fluoro-3-oxo-5-[(3R)-2-oxo-3-[(6-propoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[7-fluoro-3-oxo-5-[(3R)-2-oxo-3-[(6-propoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide
PubChem CID135191088
Molecular FormulaC26H31FN4O5
Molecular Weight498.56 g/mol
Exact Mass498.23
IUPAC NameN,N-diethyl-2-[7-fluoro-3-oxo-5-[(3R)-2-oxo-3-[(6-propoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide
SMILESCCCOc1ccc(O[C@@H]2CCN(c3cc(F)c4c(c3)C(=O)N(CC(=O)N(CC)CC)C4)C2=O)cn1
InChIInChI=1S/C26H31FN4O5/c1-4-11-35-23-8-7-18(14-28-23)36-22-9-10-31(26(22)34)17-12-19-20(21(27)13-17)15-30(25(19)33)16-24(32)29(5-2)6-3/h7-8,12-14,22H,4-6,9-11,15-16H2,1-3H3/t22-/m1/s1
InChIKeyBJGGRSILHDPDCA-JOCHJYFZSA-N
XLogP3.02
TPSA92.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.56
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-diethyl-2-[7-fluoro-3-oxo-5-[(3R)-2-oxo-3-[(6-propoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide with MolForge

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Related Compounds

6-[(3R)-3-[(6-ethoxy-3-pyridinyl)oxy]-2-oxopyrrolidin-1-yl]-4-fluoro-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-isoindol-1-one
CID 118418279
6-[(3R)-3-[[6-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-4-fluoro-2-(2-oxobutyl)-3H-isoindol-1-one
CID 135190929
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
(3R)-3-[[6-(3-ethoxypropoxy)-3-pyridinyl]oxy]-1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one
CID 90091864
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
N,N-dimethyl-2-[3-oxo-5-[2-oxo-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide
CID 123393220
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
(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
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
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-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]acetic acid
CID 118418381
1-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-fluoro-2-pyridinyl]-N,N-dimethylazetidine-3-carboxamide
CID 139437081

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[7-fluoro-3-oxo-5-[(3R)-2-oxo-3-[(6-propoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[7-fluoro-3-oxo-5-[(3R)-2-oxo-3-[(6-propoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide (CID 135191088) is N,N-diethyl-2-[7-fluoro-3-oxo-5-[(3R)-2-oxo-3-[(6-propoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[7-fluoro-3-oxo-5-[(3R)-2-oxo-3-[(6-propoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[7-fluoro-3-oxo-5-[(3R)-2-oxo-3-[(6-propoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide is CCCOc1ccc(O[C@@H]2CCN(c3cc(F)c4c(c3)C(=O)N(CC(=O)N(CC)CC)C4)C2=O)cn1.
What is the InChIKey of N,N-diethyl-2-[7-fluoro-3-oxo-5-[(3R)-2-oxo-3-[(6-propoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide?
The InChIKey is BJGGRSILHDPDCA-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H31FN4O5/c1-4-11-35-23-8-7-18(14-28-23)36-22-9-10-31(26(22)34)17-12-19-20(21(27)13-17)15-30(25(19)33)16-24(32)29(5-2)6-3/h7-8,12-14,22H,4-6,9-11,15-16H2,1-3H3/t22-/m1/s1.
What are the key properties of N,N-diethyl-2-[7-fluoro-3-oxo-5-[(3R)-2-oxo-3-[(6-propoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide?
N,N-diethyl-2-[7-fluoro-3-oxo-5-[(3R)-2-oxo-3-[(6-propoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide has a molecular weight of 498.56 g/mol, XLogP of 3.02, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[7-fluoro-3-oxo-5-[(3R)-2-oxo-3-[(6-propoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide is sourced from PubChem (CID 135191088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).