3-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol

C16H17N3O2 — CID 56909607

IUPAC3-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol
SMILESCOCCNc1cc(-c2cccc(O)c2)c2cc[nH]c2n1
InChIInChI=1S/C16H17N3O2/c1-21-8-7-17-15-10-14(11-3-2-4-12(20)9-11)13-5-6-18-16(13)19-15/h2-6,9-10,20H,7-8H2,1H3,(H2,17,18,19)
InChIKeySAOYMOZOLIWAFH-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.99
Rot. Bonds5

About 3-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol

3-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol (PubChem CID 56909607) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol.

Molecular Properties

Compound Name3-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol
PubChem CID56909607
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol
SMILESCOCCNc1cc(-c2cccc(O)c2)c2cc[nH]c2n1
InChIInChI=1S/C16H17N3O2/c1-21-8-7-17-15-10-14(11-3-2-4-12(20)9-11)13-5-6-18-16(13)19-15/h2-6,9-10,20H,7-8H2,1H3,(H2,17,18,19)
InChIKeySAOYMOZOLIWAFH-UHFFFAOYSA-N
XLogP2.99
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56906336
4-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
CID 56912389
5-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxamide
CID 56901483
4-(1H-imidazo[4,5-b]pyridin-5-yl)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56896945
2-[[4-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]ethanol
CID 56893138
3-[5-[(2-methoxyethylamino)methyl]-4,6-dimethylpyrimidin-2-yl]phenol
CID 107922151
4-[4-(2-ethoxyphenyl)-6-(2-methoxyethylamino)-2-pyridinyl]phenol
CID 137304185
3-[4-(ethylamino)-6-(methoxymethyl)pyrimidin-2-yl]phenol
CID 62321190
6-hydrazinyl-N-(2-methoxyethyl)-2-phenylpyrimidin-4-amine
CID 112559970
6-N-[2-(1H-indol-3-yl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880267
4-(6-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70773886
3-[4-ethyl-6-(propylamino)pyrimidin-2-yl]phenol
CID 62202780

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol?
The IUPAC name of 3-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol (CID 56909607) is 3-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol.
What is the SMILES notation for 3-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol?
The canonical SMILES for 3-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol is COCCNc1cc(-c2cccc(O)c2)c2cc[nH]c2n1.
What is the InChIKey of 3-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol?
The InChIKey is SAOYMOZOLIWAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-21-8-7-17-15-10-14(11-3-2-4-12(20)9-11)13-5-6-18-16(13)19-15/h2-6,9-10,20H,7-8H2,1H3,(H2,17,18,19).
What are the key properties of 3-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol?
3-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol has a molecular weight of 283.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol is sourced from PubChem (CID 56909607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).