3-[[2-methoxy-5-(1H-pyrrolo[3,2-b]pyridin-2-yl)anilino]methyl]phenol

C21H19N3O2 — CID 22324399

IUPAC3-[[2-methoxy-5-(1H-pyrrolo[3,2-b]pyridin-2-yl)anilino]methyl]phenol
SMILESCOc1ccc(-c2cc3ncccc3[nH]2)cc1NCc1cccc(O)c1
InChIInChI=1S/C21H19N3O2/c1-26-21-8-7-15(18-12-19-17(24-18)6-3-9-22-19)11-20(21)23-13-14-4-2-5-16(25)10-14/h2-12,23-25H,13H2,1H3
InChIKeyXCQZFGOHZNBUNT-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.56
Rot. Bonds5

About 3-[[2-methoxy-5-(1H-pyrrolo[3,2-b]pyridin-2-yl)anilino]methyl]phenol

3-[[2-methoxy-5-(1H-pyrrolo[3,2-b]pyridin-2-yl)anilino]methyl]phenol (PubChem CID 22324399) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-[[2-methoxy-5-(1H-pyrrolo[3,2-b]pyridin-2-yl)anilino]methyl]phenol.

Molecular Properties

Compound Name3-[[2-methoxy-5-(1H-pyrrolo[3,2-b]pyridin-2-yl)anilino]methyl]phenol
PubChem CID22324399
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name3-[[2-methoxy-5-(1H-pyrrolo[3,2-b]pyridin-2-yl)anilino]methyl]phenol
SMILESCOc1ccc(-c2cc3ncccc3[nH]2)cc1NCc1cccc(O)c1
InChIInChI=1S/C21H19N3O2/c1-26-21-8-7-15(18-12-19-17(24-18)6-3-9-22-19)11-20(21)23-13-14-4-2-5-16(25)10-14/h2-12,23-25H,13H2,1H3
InChIKeyXCQZFGOHZNBUNT-UHFFFAOYSA-N
XLogP4.56
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-methoxy-5-(1H-pyrrolo[3,2-b]pyridin-2-yl)anilino]methyl]phenol?
The IUPAC name of 3-[[2-methoxy-5-(1H-pyrrolo[3,2-b]pyridin-2-yl)anilino]methyl]phenol (CID 22324399) is 3-[[2-methoxy-5-(1H-pyrrolo[3,2-b]pyridin-2-yl)anilino]methyl]phenol.
What is the SMILES notation for 3-[[2-methoxy-5-(1H-pyrrolo[3,2-b]pyridin-2-yl)anilino]methyl]phenol?
The canonical SMILES for 3-[[2-methoxy-5-(1H-pyrrolo[3,2-b]pyridin-2-yl)anilino]methyl]phenol is COc1ccc(-c2cc3ncccc3[nH]2)cc1NCc1cccc(O)c1.
What is the InChIKey of 3-[[2-methoxy-5-(1H-pyrrolo[3,2-b]pyridin-2-yl)anilino]methyl]phenol?
The InChIKey is XCQZFGOHZNBUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-26-21-8-7-15(18-12-19-17(24-18)6-3-9-22-19)11-20(21)23-13-14-4-2-5-16(25)10-14/h2-12,23-25H,13H2,1H3.
What are the key properties of 3-[[2-methoxy-5-(1H-pyrrolo[3,2-b]pyridin-2-yl)anilino]methyl]phenol?
3-[[2-methoxy-5-(1H-pyrrolo[3,2-b]pyridin-2-yl)anilino]methyl]phenol has a molecular weight of 345.40 g/mol, XLogP of 4.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methoxy-5-(1H-pyrrolo[3,2-b]pyridin-2-yl)anilino]methyl]phenol is sourced from PubChem (CID 22324399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).