7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-propylpyrrolo[2,3-c]pyridine;methanesulfonic acid

C20H25FN2O4S — CID 87894529

IUPAC7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-propylpyrrolo[2,3-c]pyridine;methanesulfonic acid
SMILESCCCn1c(C)c(C)c2ccnc(OCc3ccc(F)cc3)c21.CS(=O)(=O)O
InChIInChI=1S/C19H21FN2O.CH4O3S/c1-4-11-22-14(3)13(2)17-9-10-21-19(18(17)22)23-12-15-5-7-16(20)8-6-15;1-5(2,3)4/h5-10H,4,11-12H2,1-3H3;1H3,(H,2,3,4)
InChIKeyUMNBXHYMSWIDRP-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.29
Rot. Bonds5

About 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-propylpyrrolo[2,3-c]pyridine;methanesulfonic acid

7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-propylpyrrolo[2,3-c]pyridine;methanesulfonic acid (PubChem CID 87894529) has the molecular formula C20H25FN2O4S and a molecular weight of 408.50 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-propylpyrrolo[2,3-c]pyridine;methanesulfonic acid.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-propylpyrrolo[2,3-c]pyridine;methanesulfonic acid
PubChem CID87894529
Molecular FormulaC20H25FN2O4S
Molecular Weight408.50 g/mol
Exact Mass408.15
IUPAC Name7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-propylpyrrolo[2,3-c]pyridine;methanesulfonic acid
SMILESCCCn1c(C)c(C)c2ccnc(OCc3ccc(F)cc3)c21.CS(=O)(=O)O
InChIInChI=1S/C19H21FN2O.CH4O3S/c1-4-11-22-14(3)13(2)17-9-10-21-19(18(17)22)23-12-15-5-7-16(20)8-6-15;1-5(2,3)4/h5-10H,4,11-12H2,1-3H3;1H3,(H,2,3,4)
InChIKeyUMNBXHYMSWIDRP-UHFFFAOYSA-N
XLogP4.29
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-propylpyrrolo[2,3-c]pyridine;methanesulfonic acid 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 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-propylpyrrolo[2,3-c]pyridine;methanesulfonic acid?
The IUPAC name of 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-propylpyrrolo[2,3-c]pyridine;methanesulfonic acid (CID 87894529) is 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-propylpyrrolo[2,3-c]pyridine;methanesulfonic acid.
What is the SMILES notation for 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-propylpyrrolo[2,3-c]pyridine;methanesulfonic acid?
The canonical SMILES for 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-propylpyrrolo[2,3-c]pyridine;methanesulfonic acid is CCCn1c(C)c(C)c2ccnc(OCc3ccc(F)cc3)c21.CS(=O)(=O)O.
What is the InChIKey of 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-propylpyrrolo[2,3-c]pyridine;methanesulfonic acid?
The InChIKey is UMNBXHYMSWIDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O.CH4O3S/c1-4-11-22-14(3)13(2)17-9-10-21-19(18(17)22)23-12-15-5-7-16(20)8-6-15;1-5(2,3)4/h5-10H,4,11-12H2,1-3H3;1H3,(H,2,3,4).
What are the key properties of 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-propylpyrrolo[2,3-c]pyridine;methanesulfonic acid?
7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-propylpyrrolo[2,3-c]pyridine;methanesulfonic acid has a molecular weight of 408.50 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-propylpyrrolo[2,3-c]pyridine;methanesulfonic acid is sourced from PubChem (CID 87894529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).