(4-amino-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone

C19H12ClFN4O2 — CID 155366977

IUPAC(4-amino-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone
SMILESNc1c(Cl)cnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4F)cn3)c12
InChIInChI=1S/C19H12ClFN4O2/c20-12-9-25-19-16(17(12)22)11(8-24-19)18(26)14-6-5-10(7-23-14)27-15-4-2-1-3-13(15)21/h1-9H,(H3,22,24,25)
InChIKeyZVKLXSZQNDFOET-UHFFFAOYSA-N
MW382.78 g/mol
LogP4.36
Rot. Bonds4

About (4-amino-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone

(4-amino-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone (PubChem CID 155366977) has the molecular formula C19H12ClFN4O2 and a molecular weight of 382.78 g/mol. Its IUPAC name is (4-amino-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-amino-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone
PubChem CID155366977
Molecular FormulaC19H12ClFN4O2
Molecular Weight382.78 g/mol
Exact Mass382.06
IUPAC Name(4-amino-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone
SMILESNc1c(Cl)cnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4F)cn3)c12
InChIInChI=1S/C19H12ClFN4O2/c20-12-9-25-19-16(17(12)22)11(8-24-19)18(26)14-6-5-10(7-23-14)27-15-4-2-1-3-13(15)21/h1-9H,(H3,22,24,25)
InChIKeyZVKLXSZQNDFOET-UHFFFAOYSA-N
XLogP4.36
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.78
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4-amino-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone 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-amino-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone?
The IUPAC name of (4-amino-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone (CID 155366977) is (4-amino-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone.
What is the SMILES notation for (4-amino-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone?
The canonical SMILES for (4-amino-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone is Nc1c(Cl)cnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4F)cn3)c12.
What is the InChIKey of (4-amino-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone?
The InChIKey is ZVKLXSZQNDFOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4O2/c20-12-9-25-19-16(17(12)22)11(8-24-19)18(26)14-6-5-10(7-23-14)27-15-4-2-1-3-13(15)21/h1-9H,(H3,22,24,25).
What are the key properties of (4-amino-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone?
(4-amino-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone has a molecular weight of 382.78 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone is sourced from PubChem (CID 155366977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).