6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-4-fluoro-2-(2-oxobutyl)-2,3-dihydroinden-1-one

C26H29FN2O4 — CID 144936907

IUPAC6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-4-fluoro-2-(2-oxobutyl)-2,3-dihydroinden-1-one
SMILESCCC(=O)CC1Cc2c(F)cc(N3CC[C@@H](Oc4ccc(OCC5CC5)nc4)C3)cc2C1=O
InChIInChI=1S/C26H29FN2O4/c1-2-19(30)9-17-10-22-23(26(17)31)11-18(12-24(22)27)29-8-7-21(14-29)33-20-5-6-25(28-13-20)32-15-16-3-4-16/h5-6,11-13,16-17,21H,2-4,7-10,14-15H2,1H3/t17?,21-/m1/s1
InChIKeyJYKGDMAUETWZBD-FBLFFUNLSA-N
MW452.53 g/mol
LogP4.39
Rot. Bonds9

About 6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-4-fluoro-2-(2-oxobutyl)-2,3-dihydroinden-1-one

6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-4-fluoro-2-(2-oxobutyl)-2,3-dihydroinden-1-one (PubChem CID 144936907) has the molecular formula C26H29FN2O4 and a molecular weight of 452.53 g/mol. Its IUPAC name is 6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-4-fluoro-2-(2-oxobutyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-4-fluoro-2-(2-oxobutyl)-2,3-dihydroinden-1-one
PubChem CID144936907
Molecular FormulaC26H29FN2O4
Molecular Weight452.53 g/mol
Exact Mass452.21
IUPAC Name6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-4-fluoro-2-(2-oxobutyl)-2,3-dihydroinden-1-one
SMILESCCC(=O)CC1Cc2c(F)cc(N3CC[C@@H](Oc4ccc(OCC5CC5)nc4)C3)cc2C1=O
InChIInChI=1S/C26H29FN2O4/c1-2-19(30)9-17-10-22-23(26(17)31)11-18(12-24(22)27)29-8-7-21(14-29)33-20-5-6-25(28-13-20)32-15-16-3-4-16/h5-6,11-13,16-17,21H,2-4,7-10,14-15H2,1H3/t17?,21-/m1/s1
InChIKeyJYKGDMAUETWZBD-FBLFFUNLSA-N
XLogP4.39
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(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-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide
CID 126482608
1-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-fluoro-2-pyridinyl]-N,N-dimethylazetidine-3-carboxamide
CID 139437081
6-[(3R)-3-[[6-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-4-fluoro-2-(2-oxobutyl)-3H-isoindol-1-one
CID 135190929
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
N-[1-[4-[1-[2-(cyclopropylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyrimidine-5-carboxamide
CID 123846169
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
(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
methyl 1-[5-[(3R)-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-pyridinyl]azetidine-3-carboxylate
CID 139436994
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

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-4-fluoro-2-(2-oxobutyl)-2,3-dihydroinden-1-one?
The IUPAC name of 6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-4-fluoro-2-(2-oxobutyl)-2,3-dihydroinden-1-one (CID 144936907) is 6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-4-fluoro-2-(2-oxobutyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-4-fluoro-2-(2-oxobutyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-4-fluoro-2-(2-oxobutyl)-2,3-dihydroinden-1-one is CCC(=O)CC1Cc2c(F)cc(N3CC[C@@H](Oc4ccc(OCC5CC5)nc4)C3)cc2C1=O.
What is the InChIKey of 6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-4-fluoro-2-(2-oxobutyl)-2,3-dihydroinden-1-one?
The InChIKey is JYKGDMAUETWZBD-FBLFFUNLSA-N. The full InChI is InChI=1S/C26H29FN2O4/c1-2-19(30)9-17-10-22-23(26(17)31)11-18(12-24(22)27)29-8-7-21(14-29)33-20-5-6-25(28-13-20)32-15-16-3-4-16/h5-6,11-13,16-17,21H,2-4,7-10,14-15H2,1H3/t17?,21-/m1/s1.
What are the key properties of 6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-4-fluoro-2-(2-oxobutyl)-2,3-dihydroinden-1-one?
6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-4-fluoro-2-(2-oxobutyl)-2,3-dihydroinden-1-one has a molecular weight of 452.53 g/mol, XLogP of 4.39, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-4-fluoro-2-(2-oxobutyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 144936907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).