2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide

C25H27FN4O5 — CID 126482608

IUPAC2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1Cc2c(F)cc(N3CC[C@@H](Oc4ccc(OCC5CC5)nc4)C3=O)cc2C1=O
InChIInChI=1S/C25H27FN4O5/c1-28(2)23(31)13-29-12-19-18(24(29)32)9-16(10-20(19)26)30-8-7-21(25(30)33)35-17-5-6-22(27-11-17)34-14-15-3-4-15/h5-6,9-11,15,21H,3-4,7-8,12-14H2,1-2H3/t21-/m1/s1
InChIKeyBIGOOMZSVCDOEQ-OAQYLSRUSA-N
MW482.51 g/mol
LogP2.24
Rot. Bonds8

About 2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide

2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide (PubChem CID 126482608) has the molecular formula C25H27FN4O5 and a molecular weight of 482.51 g/mol. Its IUPAC name is 2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide
PubChem CID126482608
Molecular FormulaC25H27FN4O5
Molecular Weight482.51 g/mol
Exact Mass482.20
IUPAC Name2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1Cc2c(F)cc(N3CC[C@@H](Oc4ccc(OCC5CC5)nc4)C3=O)cc2C1=O
InChIInChI=1S/C25H27FN4O5/c1-28(2)23(31)13-29-12-19-18(24(29)32)9-16(10-20(19)26)30-8-7-21(25(30)33)35-17-5-6-22(27-11-17)34-14-15-3-4-15/h5-6,9-11,15,21H,3-4,7-8,12-14H2,1-2H3/t21-/m1/s1
InChIKeyBIGOOMZSVCDOEQ-OAQYLSRUSA-N
XLogP2.24
TPSA92.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

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-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
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-[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
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-(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
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
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
(3R)-3-[[6-(3-ethoxypropoxy)-3-pyridinyl]oxy]-1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one
CID 90091864

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 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) is 2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1Cc2c(F)cc(N3CC[C@@H](Oc4ccc(OCC5CC5)nc4)C3=O)cc2C1=O.
What is the InChIKey of 2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide?
The InChIKey is BIGOOMZSVCDOEQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H27FN4O5/c1-28(2)23(31)13-29-12-19-18(24(29)32)9-16(10-20(19)26)30-8-7-21(25(30)33)35-17-5-6-22(27-11-17)34-14-15-3-4-15/h5-6,9-11,15,21H,3-4,7-8,12-14H2,1-2H3/t21-/m1/s1.
What are the key properties of 2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide?
2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide has a molecular weight of 482.51 g/mol, XLogP of 2.24, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 126482608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).