4-[7-(2,2-difluoroethoxy)-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine

C19H14F3N5O — CID 162687589

IUPAC4-[7-(2,2-difluoroethoxy)-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1cc(-c2[nH]c3c(OCC(F)F)cc(F)nc3c2-c2ccccn2)ccn1
InChIInChI=1S/C19H14F3N5O/c20-13(21)9-28-12-8-14(22)26-19-16(11-3-1-2-5-24-11)17(27-18(12)19)10-4-6-25-15(23)7-10/h1-8,13,27H,9H2,(H2,23,25)
InChIKeyQTQSNYIQIIYDBZ-UHFFFAOYSA-N
MW385.35 g/mol
LogP4.05
Rot. Bonds5

About 4-[7-(2,2-difluoroethoxy)-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine

4-[7-(2,2-difluoroethoxy)-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 162687589) has the molecular formula C19H14F3N5O and a molecular weight of 385.35 g/mol. Its IUPAC name is 4-[7-(2,2-difluoroethoxy)-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[7-(2,2-difluoroethoxy)-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine
PubChem CID162687589
Molecular FormulaC19H14F3N5O
Molecular Weight385.35 g/mol
Exact Mass385.12
IUPAC Name4-[7-(2,2-difluoroethoxy)-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1cc(-c2[nH]c3c(OCC(F)F)cc(F)nc3c2-c2ccccn2)ccn1
InChIInChI=1S/C19H14F3N5O/c20-13(21)9-28-12-8-14(22)26-19-16(11-3-1-2-5-24-11)17(27-18(12)19)10-4-6-25-15(23)7-10/h1-8,13,27H,9H2,(H2,23,25)
InChIKeyQTQSNYIQIIYDBZ-UHFFFAOYSA-N
XLogP4.05
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[7-(2,2-difluoroethoxy)-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-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 4-[7-(2,2-difluoroethoxy)-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 4-[7-(2,2-difluoroethoxy)-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine (CID 162687589) is 4-[7-(2,2-difluoroethoxy)-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 4-[7-(2,2-difluoroethoxy)-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 4-[7-(2,2-difluoroethoxy)-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine is Nc1cc(-c2[nH]c3c(OCC(F)F)cc(F)nc3c2-c2ccccn2)ccn1.
What is the InChIKey of 4-[7-(2,2-difluoroethoxy)-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is QTQSNYIQIIYDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O/c20-13(21)9-28-12-8-14(22)26-19-16(11-3-1-2-5-24-11)17(27-18(12)19)10-4-6-25-15(23)7-10/h1-8,13,27H,9H2,(H2,23,25).
What are the key properties of 4-[7-(2,2-difluoroethoxy)-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine?
4-[7-(2,2-difluoroethoxy)-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 385.35 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(2,2-difluoroethoxy)-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 162687589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).