2-[3-(5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-4-hydroxy-5-phenylphenyl]acetic acid

C21H17N3O3 — CID 135559073

IUPAC2-[3-(5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-4-hydroxy-5-phenylphenyl]acetic acid
SMILESNc1ccc2[nH]c(-c3cc(CC(=O)O)cc(-c4ccccc4)c3O)cc2n1
InChIInChI=1S/C21H17N3O3/c22-19-7-6-16-18(24-19)11-17(23-16)15-9-12(10-20(25)26)8-14(21(15)27)13-4-2-1-3-5-13/h1-9,11,23,27H,10H2,(H2,22,24)(H,25,26)
InChIKeyLRAPBBCHAVKQTM-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.81
Rot. Bonds4

About 2-[3-(5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-4-hydroxy-5-phenylphenyl]acetic acid

2-[3-(5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-4-hydroxy-5-phenylphenyl]acetic acid (PubChem CID 135559073) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-[3-(5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-4-hydroxy-5-phenylphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-4-hydroxy-5-phenylphenyl]acetic acid
PubChem CID135559073
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name2-[3-(5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-4-hydroxy-5-phenylphenyl]acetic acid
SMILESNc1ccc2[nH]c(-c3cc(CC(=O)O)cc(-c4ccccc4)c3O)cc2n1
InChIInChI=1S/C21H17N3O3/c22-19-7-6-16-18(24-19)11-17(23-16)15-9-12(10-20(25)26)8-14(21(15)27)13-4-2-1-3-5-13/h1-9,11,23,27H,10H2,(H2,22,24)(H,25,26)
InChIKeyLRAPBBCHAVKQTM-UHFFFAOYSA-N
XLogP3.81
TPSA112.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(5-Amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-6-hydroxy-3'-nitro-3-biphenylyl]acetic acid
CID 135431470
2-[3-(3-aminophenyl)-5-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-hydroxyphenyl]butanedioic acid
CID 135559108
2-(3-{5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl}-4-hydroxy-5-(3-{[(phenylcarbamoyl)amino]methyl}phenyl)phenyl)acetic acid
CID 135490247
2-(3-{5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl}-4-hydroxy-5-(3-{[(pyridin-3-ylcarbamoyl)amino]methyl}phenyl)phenyl)acetic acid
CID 135559077
2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-hydroxy-5-phenylphenyl]butanedioic acid
CID 135559104
2-(3-{5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl}-4-hydroxy-5-(3-hydroxyphenyl)phenyl)acetic acid
CID 135559075
[3''-Amino-5-(5-carbamimidoyl-1H-indol-2-yl)-6-hydroxy-biphenyl-3-yl]-acetic acid
CID 10340940
[5-(5-Carbamimidoyl-1H-indol-2-yl)-6-hydroxy-biphenyl-3-yl]-acetic acid
CID 10430177
5-Aminopyrrolo[3,2-b]pyridine 7
CID 135559074
2-(3-{5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl}-5-{3-[({[2-(dimethylamino)ethyl]carbamoyl}amino)methyl]phenyl}-4-hydroxyphenyl)acetic acid
CID 135559078
2-[3-(1H-1,3-benzodiazol-2-yl)-4-hydroxy-5-(3-nitrophenyl)phenyl]acetic acid
CID 135559071
(2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2-yl}-4-oxido-5-phenylphenyl)butanedioate
CID 135559084

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-4-hydroxy-5-phenylphenyl]acetic acid?
The IUPAC name of 2-[3-(5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-4-hydroxy-5-phenylphenyl]acetic acid (CID 135559073) is 2-[3-(5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-4-hydroxy-5-phenylphenyl]acetic acid.
What is the SMILES notation for 2-[3-(5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-4-hydroxy-5-phenylphenyl]acetic acid?
The canonical SMILES for 2-[3-(5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-4-hydroxy-5-phenylphenyl]acetic acid is Nc1ccc2[nH]c(-c3cc(CC(=O)O)cc(-c4ccccc4)c3O)cc2n1.
What is the InChIKey of 2-[3-(5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-4-hydroxy-5-phenylphenyl]acetic acid?
The InChIKey is LRAPBBCHAVKQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c22-19-7-6-16-18(24-19)11-17(23-16)15-9-12(10-20(25)26)8-14(21(15)27)13-4-2-1-3-5-13/h1-9,11,23,27H,10H2,(H2,22,24)(H,25,26).
What are the key properties of 2-[3-(5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-4-hydroxy-5-phenylphenyl]acetic acid?
2-[3-(5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-4-hydroxy-5-phenylphenyl]acetic acid has a molecular weight of 359.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-4-hydroxy-5-phenylphenyl]acetic acid is sourced from PubChem (CID 135559073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).