4-(2-chloro-5-fluoro-4-pyridinyl)-1-cyclopropylsulfonyl-2H-pyrrolo[3,2-b]pyridine

C15H13ClFN3O2S — CID 142801106

IUPAC4-(2-chloro-5-fluoro-4-pyridinyl)-1-cyclopropylsulfonyl-2H-pyrrolo[3,2-b]pyridine
SMILESO=S(=O)(C1CC1)N1CC=C2C1=CC=CN2c1cc(Cl)ncc1F
InChIInChI=1S/C15H13ClFN3O2S/c16-15-8-14(11(17)9-18-15)19-6-1-2-13-12(19)5-7-20(13)23(21,22)10-3-4-10/h1-2,5-6,8-10H,3-4,7H2
InChIKeyPUVILPJFYVKBKO-UHFFFAOYSA-N
MW353.81 g/mol
LogP2.78
Rot. Bonds3

About 4-(2-chloro-5-fluoro-4-pyridinyl)-1-cyclopropylsulfonyl-2H-pyrrolo[3,2-b]pyridine

4-(2-chloro-5-fluoro-4-pyridinyl)-1-cyclopropylsulfonyl-2H-pyrrolo[3,2-b]pyridine (PubChem CID 142801106) has the molecular formula C15H13ClFN3O2S and a molecular weight of 353.81 g/mol. Its IUPAC name is 4-(2-chloro-5-fluoro-4-pyridinyl)-1-cyclopropylsulfonyl-2H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name4-(2-chloro-5-fluoro-4-pyridinyl)-1-cyclopropylsulfonyl-2H-pyrrolo[3,2-b]pyridine
PubChem CID142801106
Molecular FormulaC15H13ClFN3O2S
Molecular Weight353.81 g/mol
Exact Mass353.04
IUPAC Name4-(2-chloro-5-fluoro-4-pyridinyl)-1-cyclopropylsulfonyl-2H-pyrrolo[3,2-b]pyridine
SMILESO=S(=O)(C1CC1)N1CC=C2C1=CC=CN2c1cc(Cl)ncc1F
InChIInChI=1S/C15H13ClFN3O2S/c16-15-8-14(11(17)9-18-15)19-6-1-2-13-12(19)5-7-20(13)23(21,22)10-3-4-10/h1-2,5-6,8-10H,3-4,7H2
InChIKeyPUVILPJFYVKBKO-UHFFFAOYSA-N
XLogP2.78
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-chloro-5-fluoro-4-pyridinyl)-1-cyclopropylsulfonyl-2H-pyrrolo[3,2-b]pyridine 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-(2-chloro-5-fluoro-4-pyridinyl)-1-cyclopropylsulfonyl-2H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 4-(2-chloro-5-fluoro-4-pyridinyl)-1-cyclopropylsulfonyl-2H-pyrrolo[3,2-b]pyridine (CID 142801106) is 4-(2-chloro-5-fluoro-4-pyridinyl)-1-cyclopropylsulfonyl-2H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 4-(2-chloro-5-fluoro-4-pyridinyl)-1-cyclopropylsulfonyl-2H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 4-(2-chloro-5-fluoro-4-pyridinyl)-1-cyclopropylsulfonyl-2H-pyrrolo[3,2-b]pyridine is O=S(=O)(C1CC1)N1CC=C2C1=CC=CN2c1cc(Cl)ncc1F.
What is the InChIKey of 4-(2-chloro-5-fluoro-4-pyridinyl)-1-cyclopropylsulfonyl-2H-pyrrolo[3,2-b]pyridine?
The InChIKey is PUVILPJFYVKBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O2S/c16-15-8-14(11(17)9-18-15)19-6-1-2-13-12(19)5-7-20(13)23(21,22)10-3-4-10/h1-2,5-6,8-10H,3-4,7H2.
What are the key properties of 4-(2-chloro-5-fluoro-4-pyridinyl)-1-cyclopropylsulfonyl-2H-pyrrolo[3,2-b]pyridine?
4-(2-chloro-5-fluoro-4-pyridinyl)-1-cyclopropylsulfonyl-2H-pyrrolo[3,2-b]pyridine has a molecular weight of 353.81 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluoro-4-pyridinyl)-1-cyclopropylsulfonyl-2H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 142801106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).