2-(4-fluorophenyl)-4-phenylmethoxy-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine

C25H19FN4O — CID 10386848

IUPAC2-(4-fluorophenyl)-4-phenylmethoxy-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESNc1cc(OCc2ccccc2)c2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1
InChIInChI=1S/C25H19FN4O/c26-19-8-6-18(7-9-19)24-22(17-10-12-28-13-11-17)23-20(14-21(27)29-25(23)30-24)31-15-16-4-2-1-3-5-16/h1-14H,15H2,(H3,27,29,30)
InChIKeyJGSOKYHCMXFSQG-UHFFFAOYSA-N
MW410.45 g/mol
LogP5.59
Rot. Bonds5

About 2-(4-fluorophenyl)-4-phenylmethoxy-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine

2-(4-fluorophenyl)-4-phenylmethoxy-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 10386848) has the molecular formula C25H19FN4O and a molecular weight of 410.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-phenylmethoxy-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-phenylmethoxy-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID10386848
Molecular FormulaC25H19FN4O
Molecular Weight410.45 g/mol
Exact Mass410.15
IUPAC Name2-(4-fluorophenyl)-4-phenylmethoxy-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESNc1cc(OCc2ccccc2)c2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1
InChIInChI=1S/C25H19FN4O/c26-19-8-6-18(7-9-19)24-22(17-10-12-28-13-11-17)23-20(14-21(27)29-25(23)30-24)31-15-16-4-2-1-3-5-16/h1-14H,15H2,(H3,27,29,30)
InChIKeyJGSOKYHCMXFSQG-UHFFFAOYSA-N
XLogP5.59
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.45
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)-4-phenylmethoxy-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-phenylmethoxy-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 2-(4-fluorophenyl)-4-phenylmethoxy-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 10386848) is 2-(4-fluorophenyl)-4-phenylmethoxy-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-phenylmethoxy-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 2-(4-fluorophenyl)-4-phenylmethoxy-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine is Nc1cc(OCc2ccccc2)c2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1.
What is the InChIKey of 2-(4-fluorophenyl)-4-phenylmethoxy-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is JGSOKYHCMXFSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O/c26-19-8-6-18(7-9-19)24-22(17-10-12-28-13-11-17)23-20(14-21(27)29-25(23)30-24)31-15-16-4-2-1-3-5-16/h1-14H,15H2,(H3,27,29,30).
What are the key properties of 2-(4-fluorophenyl)-4-phenylmethoxy-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
2-(4-fluorophenyl)-4-phenylmethoxy-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 410.45 g/mol, XLogP of 5.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-phenylmethoxy-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 10386848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).