2-[6-[[(1R)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]amino]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid

C27H28N2O3 — CID 126702589

IUPAC2-[6-[[(1R)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]amino]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid
SMILESCC(C)c1ccccc1-c1cccc2c1CC[C@H]2Nc1cnc2c(c1)OCC2CC(=O)O
InChIInChI=1S/C27H28N2O3/c1-16(2)19-6-3-4-7-20(19)21-8-5-9-23-22(21)10-11-24(23)29-18-13-25-27(28-14-18)17(15-32-25)12-26(30)31/h3-9,13-14,16-17,24,29H,10-12,15H2,1-2H3,(H,30,31)/t17?,24-/m1/s1
InChIKeyBNORFYZXOJENIP-FZYLFJGDSA-N
MW428.53 g/mol
LogP5.92
Rot. Bonds6

About 2-[6-[[(1R)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]amino]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid

2-[6-[[(1R)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]amino]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid (PubChem CID 126702589) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is 2-[6-[[(1R)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]amino]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[[(1R)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]amino]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid
PubChem CID126702589
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name2-[6-[[(1R)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]amino]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid
SMILESCC(C)c1ccccc1-c1cccc2c1CC[C@H]2Nc1cnc2c(c1)OCC2CC(=O)O
InChIInChI=1S/C27H28N2O3/c1-16(2)19-6-3-4-7-20(19)21-8-5-9-23-22(21)10-11-24(23)29-18-13-25-27(28-14-18)17(15-32-25)12-26(30)31/h3-9,13-14,16-17,24,29H,10-12,15H2,1-2H3,(H,30,31)/t17?,24-/m1/s1
InChIKeyBNORFYZXOJENIP-FZYLFJGDSA-N
XLogP5.92
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[6-[[(1R)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]amino]-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-[[(1R)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]amino]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[6-[[(1R)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]amino]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid (CID 126702589) is 2-[6-[[(1R)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]amino]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[6-[[(1R)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]amino]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[6-[[(1R)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]amino]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid is CC(C)c1ccccc1-c1cccc2c1CC[C@H]2Nc1cnc2c(c1)OCC2CC(=O)O.
What is the InChIKey of 2-[6-[[(1R)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]amino]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid?
The InChIKey is BNORFYZXOJENIP-FZYLFJGDSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-16(2)19-6-3-4-7-20(19)21-8-5-9-23-22(21)10-11-24(23)29-18-13-25-27(28-14-18)17(15-32-25)12-26(30)31/h3-9,13-14,16-17,24,29H,10-12,15H2,1-2H3,(H,30,31)/t17?,24-/m1/s1.
What are the key properties of 2-[6-[[(1R)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]amino]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid?
2-[6-[[(1R)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]amino]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid has a molecular weight of 428.53 g/mol, XLogP of 5.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[(1R)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]amino]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid is sourced from PubChem (CID 126702589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).