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

C26H20ClFN4O — CID 122653603

IUPAC1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-pyridin-4-yl-2,3-dihydroindole-4-carboxamide
SMILESO=C(Nc1ccncc1)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(Cl)c2)ccn1
InChIInChI=1S/C26H20ClFN4O/c27-19-13-18(14-20(28)16-19)12-17-4-10-30-25(15-17)32-11-7-22-23(2-1-3-24(22)32)26(33)31-21-5-8-29-9-6-21/h1-6,8-10,13-16H,7,11-12H2,(H,29,31,33)
InChIKeyXEHKNQGIZCTGNU-UHFFFAOYSA-N
MW458.92 g/mol
LogP5.81
Rot. Bonds5

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

1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-pyridin-4-yl-2,3-dihydroindole-4-carboxamide (PubChem CID 122653603) has the molecular formula C26H20ClFN4O and a molecular weight of 458.92 g/mol. Its IUPAC name is 1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-pyridin-4-yl-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-pyridin-4-yl-2,3-dihydroindole-4-carboxamide
PubChem CID122653603
Molecular FormulaC26H20ClFN4O
Molecular Weight458.92 g/mol
Exact Mass458.13
IUPAC Name1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-pyridin-4-yl-2,3-dihydroindole-4-carboxamide
SMILESO=C(Nc1ccncc1)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(Cl)c2)ccn1
InChIInChI=1S/C26H20ClFN4O/c27-19-13-18(14-20(28)16-19)12-17-4-10-30-25(15-17)32-11-7-22-23(2-1-3-24(22)32)26(33)31-21-5-8-29-9-6-21/h1-6,8-10,13-16H,7,11-12H2,(H,29,31,33)
InChIKeyXEHKNQGIZCTGNU-UHFFFAOYSA-N
XLogP5.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.92
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-pyridin-4-yl-2,3-dihydroindole-4-carboxamide with MolForge

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Related Compounds

1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653688
N-propyl-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 145181565
1-[4-[(5-chloro-3-pyridinyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653624
1-[4-[(3-fluoro-4-hydroxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653637
N-[5-(methylamino)-5-oxopentyl]-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122660770
[1-[4-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindol-4-yl]-(methylamino)methanol
CID 129214783
1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653721
1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxylic acid
CID 122653411
1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653689
1-[1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindol-4-yl]-4-fluorobutan-1-one
CID 149328724
1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653452
N-(3,5-dihydroxyphenyl)-2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-5-carboxamide
CID 143709007

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-pyridin-4-yl-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-pyridin-4-yl-2,3-dihydroindole-4-carboxamide (CID 122653603) is 1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-pyridin-4-yl-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-pyridin-4-yl-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-pyridin-4-yl-2,3-dihydroindole-4-carboxamide is O=C(Nc1ccncc1)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(Cl)c2)ccn1.
What is the InChIKey of 1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-pyridin-4-yl-2,3-dihydroindole-4-carboxamide?
The InChIKey is XEHKNQGIZCTGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClFN4O/c27-19-13-18(14-20(28)16-19)12-17-4-10-30-25(15-17)32-11-7-22-23(2-1-3-24(22)32)26(33)31-21-5-8-29-9-6-21/h1-6,8-10,13-16H,7,11-12H2,(H,29,31,33).
What are the key properties of 1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-pyridin-4-yl-2,3-dihydroindole-4-carboxamide?
1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-pyridin-4-yl-2,3-dihydroindole-4-carboxamide has a molecular weight of 458.92 g/mol, XLogP of 5.81, 5 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-pyridin-4-yl-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 122653603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).