N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide

C24H23F2N3O2 — CID 122653710

IUPACN-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESCOc1ccc(Cc2ccnc(N3CCc4c(C(=O)NCCF)cccc43)c2)cc1F
InChIInChI=1S/C24H23F2N3O2/c1-31-22-6-5-16(14-20(22)26)13-17-7-10-27-23(15-17)29-12-8-18-19(3-2-4-21(18)29)24(30)28-11-9-25/h2-7,10,14-15H,8-9,11-13H2,1H3,(H,28,30)
InChIKeyPZWPERBCYOOPLF-UHFFFAOYSA-N
MW423.46 g/mol
LogP4.21
Rot. Bonds7

About N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide

N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide (PubChem CID 122653710) has the molecular formula C24H23F2N3O2 and a molecular weight of 423.46 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
PubChem CID122653710
Molecular FormulaC24H23F2N3O2
Molecular Weight423.46 g/mol
Exact Mass423.18
IUPAC NameN-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESCOc1ccc(Cc2ccnc(N3CCc4c(C(=O)NCCF)cccc43)c2)cc1F
InChIInChI=1S/C24H23F2N3O2/c1-31-22-6-5-16(14-20(22)26)13-17-7-10-27-23(15-17)29-12-8-18-19(3-2-4-21(18)29)24(30)28-11-9-25/h2-7,10,14-15H,8-9,11-13H2,1H3,(H,28,30)
InChIKeyPZWPERBCYOOPLF-UHFFFAOYSA-N
XLogP4.21
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide with MolForge

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Related Compounds

N-[(2R)-3-fluoro-2-hydroxypropyl]-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653587
1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653721
N-[5-(methylamino)-5-oxopentyl]-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122660770
N-(2-imidazol-1-ylethyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653586
1-[4-[(3-fluoro-4-hydroxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653637
5-fluoro-N-(3-hydroxypropyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 145181558
1-[1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindol-4-yl]-4-fluorobutan-1-one
CID 149328724
1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-pyridin-4-yl-2,3-dihydroindole-4-carboxamide
CID 122653603
N-(2-hydroxyethyl)-1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
CID 162659193
N-(2-hydroxyethyl)-1-[6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
CID 162663893
1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653452
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779966

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide (CID 122653710) is N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide is COc1ccc(Cc2ccnc(N3CCc4c(C(=O)NCCF)cccc43)c2)cc1F.
What is the InChIKey of N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is PZWPERBCYOOPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O2/c1-31-22-6-5-16(14-20(22)26)13-17-7-10-27-23(15-17)29-12-8-18-19(3-2-4-21(18)29)24(30)28-11-9-25/h2-7,10,14-15H,8-9,11-13H2,1H3,(H,28,30).
What are the key properties of N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 423.46 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 122653710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).