1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-fluoroethyl)-2,3-dihydroindole-4-carboxamide

C25H22FN3O2 — CID 122653618

IUPAC1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-fluoroethyl)-2,3-dihydroindole-4-carboxamide
SMILESO=C(NCCF)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1
InChIInChI=1S/C25H22FN3O2/c26-9-11-28-25(30)21-2-1-3-22-20(21)7-12-29(22)24-16-18(6-10-27-24)14-17-4-5-23-19(15-17)8-13-31-23/h1-6,8,10,13,15-16H,7,9,11-12,14H2,(H,28,30)
InChIKeyORYLKWNYSUECTF-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.81
Rot. Bonds6

About 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-fluoroethyl)-2,3-dihydroindole-4-carboxamide

1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-fluoroethyl)-2,3-dihydroindole-4-carboxamide (PubChem CID 122653618) has the molecular formula C25H22FN3O2 and a molecular weight of 415.47 g/mol. Its IUPAC name is 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-fluoroethyl)-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-fluoroethyl)-2,3-dihydroindole-4-carboxamide
PubChem CID122653618
Molecular FormulaC25H22FN3O2
Molecular Weight415.47 g/mol
Exact Mass415.17
IUPAC Name1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-fluoroethyl)-2,3-dihydroindole-4-carboxamide
SMILESO=C(NCCF)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1
InChIInChI=1S/C25H22FN3O2/c26-9-11-28-25(30)21-2-1-3-22-20(21)7-12-29(22)24-16-18(6-10-27-24)14-17-4-5-23-19(15-17)8-13-31-23/h1-6,8,10,13,15-16H,7,9,11-12,14H2,(H,28,30)
InChIKeyORYLKWNYSUECTF-UHFFFAOYSA-N
XLogP4.81
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-fluoroethyl)-2,3-dihydroindole-4-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-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-fluoroethyl)-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-fluoroethyl)-2,3-dihydroindole-4-carboxamide (CID 122653618) is 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-fluoroethyl)-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-fluoroethyl)-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-fluoroethyl)-2,3-dihydroindole-4-carboxamide is O=C(NCCF)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1.
What is the InChIKey of 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-fluoroethyl)-2,3-dihydroindole-4-carboxamide?
The InChIKey is ORYLKWNYSUECTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O2/c26-9-11-28-25(30)21-2-1-3-22-20(21)7-12-29(22)24-16-18(6-10-27-24)14-17-4-5-23-19(15-17)8-13-31-23/h1-6,8,10,13,15-16H,7,9,11-12,14H2,(H,28,30).
What are the key properties of 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-fluoroethyl)-2,3-dihydroindole-4-carboxamide?
1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-fluoroethyl)-2,3-dihydroindole-4-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-fluoroethyl)-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 122653618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).