2-[6-[[(1S)-4-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid

C26H23F2NO4 — CID 161462973

IUPAC2-[6-[[(1S)-4-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid
SMILESCOc1cc(F)c(-c2cccc3c2CC[C@H]3Cc2cnc3c(c2)OCC3CC(=O)O)c(F)c1
InChIInChI=1S/C26H23F2NO4/c1-32-17-10-21(27)25(22(28)11-17)20-4-2-3-18-15(5-6-19(18)20)7-14-8-23-26(29-12-14)16(13-33-23)9-24(30)31/h2-4,8,10-12,15-16H,5-7,9,13H2,1H3,(H,30,31)/t15-,16?/m0/s1
InChIKeyWCBFTDJILXNLNG-VYRBHSGPSA-N
MW451.47 g/mol
LogP5.26
Rot. Bonds6

About 2-[6-[[(1S)-4-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid

2-[6-[[(1S)-4-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid (PubChem CID 161462973) has the molecular formula C26H23F2NO4 and a molecular weight of 451.47 g/mol. Its IUPAC name is 2-[6-[[(1S)-4-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[[(1S)-4-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid
PubChem CID161462973
Molecular FormulaC26H23F2NO4
Molecular Weight451.47 g/mol
Exact Mass451.16
IUPAC Name2-[6-[[(1S)-4-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid
SMILESCOc1cc(F)c(-c2cccc3c2CC[C@H]3Cc2cnc3c(c2)OCC3CC(=O)O)c(F)c1
InChIInChI=1S/C26H23F2NO4/c1-32-17-10-21(27)25(22(28)11-17)20-4-2-3-18-15(5-6-19(18)20)7-14-8-23-26(29-12-14)16(13-33-23)9-24(30)31/h2-4,8,10-12,15-16H,5-7,9,13H2,1H3,(H,30,31)/t15-,16?/m0/s1
InChIKeyWCBFTDJILXNLNG-VYRBHSGPSA-N
XLogP5.26
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.47
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-[[(1S)-4-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[(1S)-4-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[6-[[(1S)-4-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid (CID 161462973) is 2-[6-[[(1S)-4-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[6-[[(1S)-4-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[6-[[(1S)-4-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid is COc1cc(F)c(-c2cccc3c2CC[C@H]3Cc2cnc3c(c2)OCC3CC(=O)O)c(F)c1.
What is the InChIKey of 2-[6-[[(1S)-4-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid?
The InChIKey is WCBFTDJILXNLNG-VYRBHSGPSA-N. The full InChI is InChI=1S/C26H23F2NO4/c1-32-17-10-21(27)25(22(28)11-17)20-4-2-3-18-15(5-6-19(18)20)7-14-8-23-26(29-12-14)16(13-33-23)9-24(30)31/h2-4,8,10-12,15-16H,5-7,9,13H2,1H3,(H,30,31)/t15-,16?/m0/s1.
What are the key properties of 2-[6-[[(1S)-4-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid?
2-[6-[[(1S)-4-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid has a molecular weight of 451.47 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[(1S)-4-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid is sourced from PubChem (CID 161462973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).