(1'R,3R)-5-[[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[1-(methoxymethyl)cyclopentyl]phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid

C32H34FNO4 — CID 58380136

IUPAC(1'R,3R)-5-[[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[1-(methoxymethyl)cyclopentyl]phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
SMILESCOCC1(c2cc(COc3ccc4c(c3)[C@]3(CC4)C[C@H]3C(=O)O)ccc2-c2cc(C)ncc2F)CCCC1
InChIInChI=1S/C32H34FNO4/c1-20-13-25(29(33)17-34-20)24-8-5-21(14-27(24)31(19-37-2)10-3-4-11-31)18-38-23-7-6-22-9-12-32(26(22)15-23)16-28(32)30(35)36/h5-8,13-15,17,28H,3-4,9-12,16,18-19H2,1-2H3,(H,35,36)/t28-,32-/m0/s1
InChIKeyBBZNGWMDZWOCAX-IUDBTDONSA-N
MW515.63 g/mol
LogP6.52
Rot. Bonds8

About (1'R,3R)-5-[[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[1-(methoxymethyl)cyclopentyl]phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid

(1'R,3R)-5-[[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[1-(methoxymethyl)cyclopentyl]phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid (PubChem CID 58380136) has the molecular formula C32H34FNO4 and a molecular weight of 515.63 g/mol. Its IUPAC name is (1'R,3R)-5-[[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[1-(methoxymethyl)cyclopentyl]phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid.

Molecular Properties

Compound Name(1'R,3R)-5-[[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[1-(methoxymethyl)cyclopentyl]phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
PubChem CID58380136
Molecular FormulaC32H34FNO4
Molecular Weight515.63 g/mol
Exact Mass515.25
IUPAC Name(1'R,3R)-5-[[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[1-(methoxymethyl)cyclopentyl]phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
SMILESCOCC1(c2cc(COc3ccc4c(c3)[C@]3(CC4)C[C@H]3C(=O)O)ccc2-c2cc(C)ncc2F)CCCC1
InChIInChI=1S/C32H34FNO4/c1-20-13-25(29(33)17-34-20)24-8-5-21(14-27(24)31(19-37-2)10-3-4-11-31)18-38-23-7-6-22-9-12-32(26(22)15-23)16-28(32)30(35)36/h5-8,13-15,17,28H,3-4,9-12,16,18-19H2,1-2H3,(H,35,36)/t28-,32-/m0/s1
InChIKeyBBZNGWMDZWOCAX-IUDBTDONSA-N
XLogP6.52
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.63
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1'R,3R)-5-[[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[1-(methoxymethyl)cyclopentyl]phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1'R,3R)-5-[[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[1-(methoxymethyl)cyclopentyl]phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid?
The IUPAC name of (1'R,3R)-5-[[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[1-(methoxymethyl)cyclopentyl]phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid (CID 58380136) is (1'R,3R)-5-[[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[1-(methoxymethyl)cyclopentyl]phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid.
What is the SMILES notation for (1'R,3R)-5-[[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[1-(methoxymethyl)cyclopentyl]phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid?
The canonical SMILES for (1'R,3R)-5-[[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[1-(methoxymethyl)cyclopentyl]phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid is COCC1(c2cc(COc3ccc4c(c3)[C@]3(CC4)C[C@H]3C(=O)O)ccc2-c2cc(C)ncc2F)CCCC1.
What is the InChIKey of (1'R,3R)-5-[[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[1-(methoxymethyl)cyclopentyl]phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid?
The InChIKey is BBZNGWMDZWOCAX-IUDBTDONSA-N. The full InChI is InChI=1S/C32H34FNO4/c1-20-13-25(29(33)17-34-20)24-8-5-21(14-27(24)31(19-37-2)10-3-4-11-31)18-38-23-7-6-22-9-12-32(26(22)15-23)16-28(32)30(35)36/h5-8,13-15,17,28H,3-4,9-12,16,18-19H2,1-2H3,(H,35,36)/t28-,32-/m0/s1.
What are the key properties of (1'R,3R)-5-[[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[1-(methoxymethyl)cyclopentyl]phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid?
(1'R,3R)-5-[[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[1-(methoxymethyl)cyclopentyl]phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid has a molecular weight of 515.63 g/mol, XLogP of 6.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,3R)-5-[[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[1-(methoxymethyl)cyclopentyl]phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid is sourced from PubChem (CID 58380136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).