1,6-dimethyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine

C25H20N4O — CID 118707965

IUPAC1,6-dimethyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine
SMILESCc1cnc2c(-c3ccc(Oc4ncccc4-c4ccncc4)cc3)cn(C)c2c1
InChIInChI=1S/C25H20N4O/c1-17-14-23-24(28-15-17)22(16-29(23)2)18-5-7-20(8-6-18)30-25-21(4-3-11-27-25)19-9-12-26-13-10-19/h3-16H,1-2H3
InChIKeyZKAOWWYCRZPHRZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.80
Rot. Bonds4

About 1,6-dimethyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine

1,6-dimethyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine (PubChem CID 118707965) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is 1,6-dimethyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1,6-dimethyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine
PubChem CID118707965
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC Name1,6-dimethyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine
SMILESCc1cnc2c(-c3ccc(Oc4ncccc4-c4ccncc4)cc3)cn(C)c2c1
InChIInChI=1S/C25H20N4O/c1-17-14-23-24(28-15-17)22(16-29(23)2)18-5-7-20(8-6-18)30-25-21(4-3-11-27-25)19-9-12-26-13-10-19/h3-16H,1-2H3
InChIKeyZKAOWWYCRZPHRZ-UHFFFAOYSA-N
XLogP5.80
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine?
The IUPAC name of 1,6-dimethyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine (CID 118707965) is 1,6-dimethyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1,6-dimethyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1,6-dimethyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine is Cc1cnc2c(-c3ccc(Oc4ncccc4-c4ccncc4)cc3)cn(C)c2c1.
What is the InChIKey of 1,6-dimethyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine?
The InChIKey is ZKAOWWYCRZPHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O/c1-17-14-23-24(28-15-17)22(16-29(23)2)18-5-7-20(8-6-18)30-25-21(4-3-11-27-25)19-9-12-26-13-10-19/h3-16H,1-2H3.
What are the key properties of 1,6-dimethyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine?
1,6-dimethyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine has a molecular weight of 392.46 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 118707965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).