1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-(2-methoxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide

C18H19FN4O3 — CID 72792766

IUPAC1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-(2-methoxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cn(Cc2cc(F)cnc2OC)c2cccnc12
InChIInChI=1S/C18H19FN4O3/c1-25-7-6-21-17(24)14-11-23(15-4-3-5-20-16(14)15)10-12-8-13(19)9-22-18(12)26-2/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,21,24)
InChIKeyPHTHTISIMZTDDM-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.00
Rot. Bonds7

About 1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-(2-methoxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide

1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-(2-methoxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 72792766) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-(2-methoxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-(2-methoxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID72792766
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-(2-methoxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cn(Cc2cc(F)cnc2OC)c2cccnc12
InChIInChI=1S/C18H19FN4O3/c1-25-7-6-21-17(24)14-11-23(15-4-3-5-20-16(14)15)10-12-8-13(19)9-22-18(12)26-2/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,21,24)
InChIKeyPHTHTISIMZTDDM-UHFFFAOYSA-N
XLogP2.00
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-(2-methoxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-(2-methoxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide (CID 72792766) is 1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-(2-methoxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-(2-methoxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-(2-methoxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide is COCCNC(=O)c1cn(Cc2cc(F)cnc2OC)c2cccnc12.
What is the InChIKey of 1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-(2-methoxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is PHTHTISIMZTDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-25-7-6-21-17(24)14-11-23(15-4-3-5-20-16(14)15)10-12-8-13(19)9-22-18(12)26-2/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,21,24).
What are the key properties of 1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-(2-methoxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide?
1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-(2-methoxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 358.37 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-(2-methoxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 72792766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).