6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol

C20H17ClFN3O — CID 126658919

IUPAC6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol
SMILESCc1cc(-c2ccc(CN3Cc4ncccc4C3O)c(F)c2)cnc1Cl
InChIInChI=1S/C20H17ClFN3O/c1-12-7-15(9-24-19(12)21)13-4-5-14(17(22)8-13)10-25-11-18-16(20(25)26)3-2-6-23-18/h2-9,20,26H,10-11H2,1H3
InChIKeyCDMJRVMYPOJYRH-UHFFFAOYSA-N
MW369.83 g/mol
LogP4.25
Rot. Bonds3

About 6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol

6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol (PubChem CID 126658919) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is 6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol
PubChem CID126658919
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC Name6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol
SMILESCc1cc(-c2ccc(CN3Cc4ncccc4C3O)c(F)c2)cnc1Cl
InChIInChI=1S/C20H17ClFN3O/c1-12-7-15(9-24-19(12)21)13-4-5-14(17(22)8-13)10-25-11-18-16(20(25)26)3-2-6-23-18/h2-9,20,26H,10-11H2,1H3
InChIKeyCDMJRVMYPOJYRH-UHFFFAOYSA-N
XLogP4.25
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol 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 6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol (CID 126658919) is 6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol is Cc1cc(-c2ccc(CN3Cc4ncccc4C3O)c(F)c2)cnc1Cl.
What is the InChIKey of 6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is CDMJRVMYPOJYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c1-12-7-15(9-24-19(12)21)13-4-5-14(17(22)8-13)10-25-11-18-16(20(25)26)3-2-6-23-18/h2-9,20,26H,10-11H2,1H3.
What are the key properties of 6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol?
6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 369.83 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 126658919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).