5-[[4-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]phenyl]methoxy]pyridine-3-carboxylic acid

C29H26N2O3 — CID 71120682

IUPAC5-[[4-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]phenyl]methoxy]pyridine-3-carboxylic acid
SMILESCC1Cc2ccccc2N1Cc1cccc(-c2ccc(COc3cncc(C(=O)O)c3)cc2)c1
InChIInChI=1S/C29H26N2O3/c1-20-13-25-6-2-3-8-28(25)31(20)18-22-5-4-7-24(14-22)23-11-9-21(10-12-23)19-34-27-15-26(29(32)33)16-30-17-27/h2-12,14-17,20H,13,18-19H2,1H3,(H,32,33)
InChIKeyNIPJCAKFONBCBM-UHFFFAOYSA-N
MW450.54 g/mol
LogP5.98
Rot. Bonds7

About 5-[[4-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]phenyl]methoxy]pyridine-3-carboxylic acid

5-[[4-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]phenyl]methoxy]pyridine-3-carboxylic acid (PubChem CID 71120682) has the molecular formula C29H26N2O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 5-[[4-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]phenyl]methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[4-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]phenyl]methoxy]pyridine-3-carboxylic acid
PubChem CID71120682
Molecular FormulaC29H26N2O3
Molecular Weight450.54 g/mol
Exact Mass450.19
IUPAC Name5-[[4-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]phenyl]methoxy]pyridine-3-carboxylic acid
SMILESCC1Cc2ccccc2N1Cc1cccc(-c2ccc(COc3cncc(C(=O)O)c3)cc2)c1
InChIInChI=1S/C29H26N2O3/c1-20-13-25-6-2-3-8-28(25)31(20)18-22-5-4-7-24(14-22)23-11-9-21(10-12-23)19-34-27-15-26(29(32)33)16-30-17-27/h2-12,14-17,20H,13,18-19H2,1H3,(H,32,33)
InChIKeyNIPJCAKFONBCBM-UHFFFAOYSA-N
XLogP5.98
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[4-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]phenyl]methoxy]pyridine-3-carboxylic acid with MolForge

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Related Compounds

N-methyl-5-phenylmethoxypyridine-3-carboxamide
CID 123214761
2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole
CID 22199925
methyl 5-phenylmethoxypyridine-3-carboxylate
CID 57421820
3-methyl-1-[(3-phenylphenyl)methyl]-3,4-dihydro-2λ6,1-benzothiazine 2,2-dioxide
CID 59877114
2-methyl-1-[(3-nitrophenyl)methyl]-2,3-dihydroindole-5-carboxylic acid
CID 139827412
5-[[3-[3-[(4-pentan-3-yl-N-propan-2-ylanilino)methyl]phenyl]phenyl]methoxy]pyridine-3-carboxylic acid
CID 24821641
2-methoxy-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzonitrile
CID 106787973
5-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid
CID 80631271
tert-butyl (E)-3-amino-3-(5-phenylmethoxy-3-pyridinyl)prop-2-enoate
CID 71259022
N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 100517277
tert-butyl 5-(4-phenylmethoxyphenyl)-2,3-dihydroindole-1-carboxylate
CID 58020909
6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]pyridin-3-ol
CID 82974751

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]phenyl]methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[4-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]phenyl]methoxy]pyridine-3-carboxylic acid (CID 71120682) is 5-[[4-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]phenyl]methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[4-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]phenyl]methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[4-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]phenyl]methoxy]pyridine-3-carboxylic acid is CC1Cc2ccccc2N1Cc1cccc(-c2ccc(COc3cncc(C(=O)O)c3)cc2)c1.
What is the InChIKey of 5-[[4-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]phenyl]methoxy]pyridine-3-carboxylic acid?
The InChIKey is NIPJCAKFONBCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O3/c1-20-13-25-6-2-3-8-28(25)31(20)18-22-5-4-7-24(14-22)23-11-9-21(10-12-23)19-34-27-15-26(29(32)33)16-30-17-27/h2-12,14-17,20H,13,18-19H2,1H3,(H,32,33).
What are the key properties of 5-[[4-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]phenyl]methoxy]pyridine-3-carboxylic acid?
5-[[4-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]phenyl]methoxy]pyridine-3-carboxylic acid has a molecular weight of 450.54 g/mol, XLogP of 5.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]phenyl]methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 71120682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).