1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-(2-fluoroethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide

C18H20FN5O — CID 90467309

IUPAC1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-(2-fluoroethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCc1cnc2c(C(=O)NCCF)cn(Cc3ncc(C)nc3C)c2c1
InChIInChI=1S/C18H20FN5O/c1-11-6-16-17(22-7-11)14(18(25)20-5-4-19)9-24(16)10-15-13(3)23-12(2)8-21-15/h6-9H,4-5,10H2,1-3H3,(H,20,25)
InChIKeyWPSYWIVRXTXZMG-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.50
Rot. Bonds5

About 1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-(2-fluoroethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide

1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-(2-fluoroethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 90467309) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-(2-fluoroethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-(2-fluoroethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID90467309
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-(2-fluoroethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCc1cnc2c(C(=O)NCCF)cn(Cc3ncc(C)nc3C)c2c1
InChIInChI=1S/C18H20FN5O/c1-11-6-16-17(22-7-11)14(18(25)20-5-4-19)9-24(16)10-15-13(3)23-12(2)8-21-15/h6-9H,4-5,10H2,1-3H3,(H,20,25)
InChIKeyWPSYWIVRXTXZMG-UHFFFAOYSA-N
XLogP2.50
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-(2-fluoroethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide 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 1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-(2-fluoroethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-(2-fluoroethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide (CID 90467309) is 1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-(2-fluoroethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-(2-fluoroethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-(2-fluoroethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide is Cc1cnc2c(C(=O)NCCF)cn(Cc3ncc(C)nc3C)c2c1.
What is the InChIKey of 1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-(2-fluoroethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is WPSYWIVRXTXZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-11-6-16-17(22-7-11)14(18(25)20-5-4-19)9-24(16)10-15-13(3)23-12(2)8-21-15/h6-9H,4-5,10H2,1-3H3,(H,20,25).
What are the key properties of 1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-(2-fluoroethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-(2-fluoroethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-(2-fluoroethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 90467309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).