1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-4-carboxamide

C25H26ClFN4O — CID 122653627

IUPAC1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-4-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(Cl)c2)ccn1
InChIInChI=1S/C25H26ClFN4O/c1-30(2)11-9-29-25(32)22-4-3-5-23-21(22)7-10-31(23)24-15-17(6-8-28-24)12-18-13-19(26)16-20(27)14-18/h3-6,8,13-16H,7,9-12H2,1-2H3,(H,29,32)
InChIKeyVYIUAOASGQAROK-UHFFFAOYSA-N
MW452.96 g/mol
LogP4.45
Rot. Bonds7

About 1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-4-carboxamide

1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-4-carboxamide (PubChem CID 122653627) has the molecular formula C25H26ClFN4O and a molecular weight of 452.96 g/mol. Its IUPAC name is 1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-4-carboxamide
PubChem CID122653627
Molecular FormulaC25H26ClFN4O
Molecular Weight452.96 g/mol
Exact Mass452.18
IUPAC Name1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-4-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(Cl)c2)ccn1
InChIInChI=1S/C25H26ClFN4O/c1-30(2)11-9-29-25(32)22-4-3-5-23-21(22)7-10-31(23)24-15-17(6-8-28-24)12-18-13-19(26)16-20(27)14-18/h3-6,8,13-16H,7,9-12H2,1-2H3,(H,29,32)
InChIKeyVYIUAOASGQAROK-UHFFFAOYSA-N
XLogP4.45
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.96
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]-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-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-4-carboxamide (CID 122653627) is 1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-4-carboxamide is CN(C)CCNC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(Cl)c2)ccn1.
What is the InChIKey of 1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is VYIUAOASGQAROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN4O/c1-30(2)11-9-29-25(32)22-4-3-5-23-21(22)7-10-31(23)24-15-17(6-8-28-24)12-18-13-19(26)16-20(27)14-18/h3-6,8,13-16H,7,9-12H2,1-2H3,(H,29,32).
What are the key properties of 1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-4-carboxamide?
1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 452.96 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 122653627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).