4-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzoic acid

C23H21N3O3 — CID 22607536

IUPAC4-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzoic acid
SMILESNC(COc1cncc(-c2ccc(C(=O)O)cc2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C23H21N3O3/c24-19(9-18-12-26-22-4-2-1-3-21(18)22)14-29-20-10-17(11-25-13-20)15-5-7-16(8-6-15)23(27)28/h1-8,10-13,19,26H,9,14,24H2,(H,27,28)
InChIKeyUDWUSWWNNBXJCA-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.88
Rot. Bonds7

About 4-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzoic acid

4-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzoic acid (PubChem CID 22607536) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzoic acid.

Molecular Properties

Compound Name4-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzoic acid
PubChem CID22607536
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name4-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzoic acid
SMILESNC(COc1cncc(-c2ccc(C(=O)O)cc2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C23H21N3O3/c24-19(9-18-12-26-22-4-2-1-3-21(18)22)14-29-20-10-17(11-25-13-20)15-5-7-16(8-6-15)23(27)28/h1-8,10-13,19,26H,9,14,24H2,(H,27,28)
InChIKeyUDWUSWWNNBXJCA-UHFFFAOYSA-N
XLogP3.88
TPSA101.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[[amino-[4-[5-[(2R)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]phenyl]methylidene]amino] 2,2,2-trifluoroacetate
CID 173227110
(2S)-1-[[5-(2H-benzotriazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
CID 20744785
(2R)-1-(1H-indol-3-yl)-3-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]propan-2-amine
CID 10194205
5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1,3-dihydroindol-2-one
CID 10237631
5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1H-indole-2,3-dione
CID 23647542
5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 23647541
(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
CID 10172943
5-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-2,3-dihydroisoindol-1-one
CID 22607306
(2S)-1-(1H-indol-3-yl)-3-[[5-(3-pyridin-4-ylisoquinolin-6-yl)-3-pyridinyl]oxy]propan-2-amine
CID 23647587
(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-1H-isoindol-5-yl)-3-pyridinyl]oxy]propan-2-amine
CID 153027718
[1-[[5-[4-(anilinomethyl)phenyl]-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamic acid
CID 22607510
2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
CID 46193129

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzoic acid?
The IUPAC name of 4-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzoic acid (CID 22607536) is 4-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzoic acid.
What is the SMILES notation for 4-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzoic acid?
The canonical SMILES for 4-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzoic acid is NC(COc1cncc(-c2ccc(C(=O)O)cc2)c1)Cc1c[nH]c2ccccc12.
What is the InChIKey of 4-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzoic acid?
The InChIKey is UDWUSWWNNBXJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c24-19(9-18-12-26-22-4-2-1-3-21(18)22)14-29-20-10-17(11-25-13-20)15-5-7-16(8-6-15)23(27)28/h1-8,10-13,19,26H,9,14,24H2,(H,27,28).
What are the key properties of 4-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzoic acid?
4-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzoic acid has a molecular weight of 387.44 g/mol, XLogP of 3.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzoic acid is sourced from PubChem (CID 22607536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).