6-fluoro-N-(2-methoxyethyl)-N-pyrimidin-2-yl-1H-indole-2-carboxamide

C16H15FN4O2 — CID 166475944

IUPAC6-fluoro-N-(2-methoxyethyl)-N-pyrimidin-2-yl-1H-indole-2-carboxamide
SMILESCOCCN(C(=O)c1cc2ccc(F)cc2[nH]1)c1ncccn1
InChIInChI=1S/C16H15FN4O2/c1-23-8-7-21(16-18-5-2-6-19-16)15(22)14-9-11-3-4-12(17)10-13(11)20-14/h2-6,9-10,20H,7-8H2,1H3
InChIKeyGXKCHWRNEUBDLE-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.39
Rot. Bonds5

About 6-fluoro-N-(2-methoxyethyl)-N-pyrimidin-2-yl-1H-indole-2-carboxamide

6-fluoro-N-(2-methoxyethyl)-N-pyrimidin-2-yl-1H-indole-2-carboxamide (PubChem CID 166475944) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 6-fluoro-N-(2-methoxyethyl)-N-pyrimidin-2-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-methoxyethyl)-N-pyrimidin-2-yl-1H-indole-2-carboxamide
PubChem CID166475944
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name6-fluoro-N-(2-methoxyethyl)-N-pyrimidin-2-yl-1H-indole-2-carboxamide
SMILESCOCCN(C(=O)c1cc2ccc(F)cc2[nH]1)c1ncccn1
InChIInChI=1S/C16H15FN4O2/c1-23-8-7-21(16-18-5-2-6-19-16)15(22)14-9-11-3-4-12(17)10-13(11)20-14/h2-6,9-10,20H,7-8H2,1H3
InChIKeyGXKCHWRNEUBDLE-UHFFFAOYSA-N
XLogP2.39
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-N-(2-methoxyethyl)-N-pyrimidin-2-yl-1H-indole-2-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 6-fluoro-N-(2-methoxyethyl)-N-pyrimidin-2-yl-1H-indole-2-carboxamide?
The IUPAC name of 6-fluoro-N-(2-methoxyethyl)-N-pyrimidin-2-yl-1H-indole-2-carboxamide (CID 166475944) is 6-fluoro-N-(2-methoxyethyl)-N-pyrimidin-2-yl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-methoxyethyl)-N-pyrimidin-2-yl-1H-indole-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-methoxyethyl)-N-pyrimidin-2-yl-1H-indole-2-carboxamide is COCCN(C(=O)c1cc2ccc(F)cc2[nH]1)c1ncccn1.
What is the InChIKey of 6-fluoro-N-(2-methoxyethyl)-N-pyrimidin-2-yl-1H-indole-2-carboxamide?
The InChIKey is GXKCHWRNEUBDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-23-8-7-21(16-18-5-2-6-19-16)15(22)14-9-11-3-4-12(17)10-13(11)20-14/h2-6,9-10,20H,7-8H2,1H3.
What are the key properties of 6-fluoro-N-(2-methoxyethyl)-N-pyrimidin-2-yl-1H-indole-2-carboxamide?
6-fluoro-N-(2-methoxyethyl)-N-pyrimidin-2-yl-1H-indole-2-carboxamide has a molecular weight of 314.32 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-methoxyethyl)-N-pyrimidin-2-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 166475944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).