[3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]phenyl]methanol

C21H19N3O — CID 24857339

IUPAC[3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]phenyl]methanol
SMILESOCc1cccc(NCc2ccc(-c3ccnc4[nH]ccc34)cc2)c1
InChIInChI=1S/C21H19N3O/c25-14-16-2-1-3-18(12-16)24-13-15-4-6-17(7-5-15)19-8-10-22-21-20(19)9-11-23-21/h1-12,24-25H,13-14H2,(H,22,23)
InChIKeyVJGPPGQUFNKDHH-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.33
Rot. Bonds5

About [3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]phenyl]methanol

[3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]phenyl]methanol (PubChem CID 24857339) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is [3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]phenyl]methanol.

Molecular Properties

Compound Name[3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]phenyl]methanol
PubChem CID24857339
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name[3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]phenyl]methanol
SMILESOCc1cccc(NCc2ccc(-c3ccnc4[nH]ccc34)cc2)c1
InChIInChI=1S/C21H19N3O/c25-14-16-2-1-3-18(12-16)24-13-15-4-6-17(7-5-15)19-8-10-22-21-20(19)9-11-23-21/h1-12,24-25H,13-14H2,(H,22,23)
InChIKeyVJGPPGQUFNKDHH-UHFFFAOYSA-N
XLogP4.33
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]phenyl]methanol?
The IUPAC name of [3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]phenyl]methanol (CID 24857339) is [3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]phenyl]methanol.
What is the SMILES notation for [3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]phenyl]methanol?
The canonical SMILES for [3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]phenyl]methanol is OCc1cccc(NCc2ccc(-c3ccnc4[nH]ccc34)cc2)c1.
What is the InChIKey of [3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]phenyl]methanol?
The InChIKey is VJGPPGQUFNKDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c25-14-16-2-1-3-18(12-16)24-13-15-4-6-17(7-5-15)19-8-10-22-21-20(19)9-11-23-21/h1-12,24-25H,13-14H2,(H,22,23).
What are the key properties of [3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]phenyl]methanol?
[3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]phenyl]methanol has a molecular weight of 329.40 g/mol, XLogP of 4.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]phenyl]methanol is sourced from PubChem (CID 24857339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).