6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]pyridin-2-amine

C25H20N4O — CID 122387847

IUPAC6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]pyridin-2-amine
SMILESNc1ccc(-c2ccc(OCc3ccc4[nH]ccc4n3)cc2)c(-c2ccccc2)n1
InChIInChI=1S/C25H20N4O/c26-24-13-11-21(25(29-24)18-4-2-1-3-5-18)17-6-9-20(10-7-17)30-16-19-8-12-22-23(28-19)14-15-27-22/h1-15,27H,16H2,(H2,26,29)
InChIKeyCWCMURYSYHXQLK-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.45
Rot. Bonds5

About 6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]pyridin-2-amine

6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]pyridin-2-amine (PubChem CID 122387847) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]pyridin-2-amine
PubChem CID122387847
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC Name6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]pyridin-2-amine
SMILESNc1ccc(-c2ccc(OCc3ccc4[nH]ccc4n3)cc2)c(-c2ccccc2)n1
InChIInChI=1S/C25H20N4O/c26-24-13-11-21(25(29-24)18-4-2-1-3-5-18)17-6-9-20(10-7-17)30-16-19-8-12-22-23(28-19)14-15-27-22/h1-15,27H,16H2,(H2,26,29)
InChIKeyCWCMURYSYHXQLK-UHFFFAOYSA-N
XLogP5.45
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]pyridin-2-amine?
The IUPAC name of 6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]pyridin-2-amine (CID 122387847) is 6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]pyridin-2-amine.
What is the SMILES notation for 6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]pyridin-2-amine?
The canonical SMILES for 6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]pyridin-2-amine is Nc1ccc(-c2ccc(OCc3ccc4[nH]ccc4n3)cc2)c(-c2ccccc2)n1.
What is the InChIKey of 6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]pyridin-2-amine?
The InChIKey is CWCMURYSYHXQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O/c26-24-13-11-21(25(29-24)18-4-2-1-3-5-18)17-6-9-20(10-7-17)30-16-19-8-12-22-23(28-19)14-15-27-22/h1-15,27H,16H2,(H2,26,29).
What are the key properties of 6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]pyridin-2-amine?
6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]pyridin-2-amine has a molecular weight of 392.46 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]pyridin-2-amine is sourced from PubChem (CID 122387847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).