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

C25H19FN4 — CID 18175171

IUPAC2-(4-fluorophenyl)-N-methyl-N-phenyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCN(c1ccccc1)c1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1
InChIInChI=1S/C25H19FN4/c1-30(20-5-3-2-4-6-20)22-12-11-21-23(17-13-15-27-16-14-17)24(29-25(21)28-22)18-7-9-19(26)10-8-18/h2-16H,1H3,(H,28,29)
InChIKeyXSWOUBQNRGVMCR-UHFFFAOYSA-N
MW394.45 g/mol
LogP6.20
Rot. Bonds4

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

2-(4-fluorophenyl)-N-methyl-N-phenyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 18175171) has the molecular formula C25H19FN4 and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-N-phenyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-N-phenyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID18175171
Molecular FormulaC25H19FN4
Molecular Weight394.45 g/mol
Exact Mass394.16
IUPAC Name2-(4-fluorophenyl)-N-methyl-N-phenyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCN(c1ccccc1)c1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1
InChIInChI=1S/C25H19FN4/c1-30(20-5-3-2-4-6-20)22-12-11-21-23(17-13-15-27-16-14-17)24(29-25(21)28-22)18-7-9-19(26)10-8-18/h2-16H,1H3,(H,28,29)
InChIKeyXSWOUBQNRGVMCR-UHFFFAOYSA-N
XLogP6.20
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.45
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-N-phenyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-N-phenyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 18175171) is 2-(4-fluorophenyl)-N-methyl-N-phenyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-N-phenyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-N-phenyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine is CN(c1ccccc1)c1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-N-phenyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is XSWOUBQNRGVMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4/c1-30(20-5-3-2-4-6-20)22-12-11-21-23(17-13-15-27-16-14-17)24(29-25(21)28-22)18-7-9-19(26)10-8-18/h2-16H,1H3,(H,28,29).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-N-phenyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
2-(4-fluorophenyl)-N-methyl-N-phenyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 394.45 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-N-phenyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 18175171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).