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

C24H22F3N3O2 — CID 122653419

IUPAC5-fluoro-N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESCOc1ccc(Cc2ccnc(N3CCc4c3ccc(F)c4C(=O)NCCF)c2)cc1F
InChIInChI=1S/C24H22F3N3O2/c1-32-21-5-2-15(13-19(21)27)12-16-6-9-28-22(14-16)30-11-7-17-20(30)4-3-18(26)23(17)24(31)29-10-8-25/h2-6,9,13-14H,7-8,10-12H2,1H3,(H,29,31)
InChIKeyOOKLRYAHZDWCQE-UHFFFAOYSA-N
MW441.45 g/mol
LogP4.35
Rot. Bonds7

About 5-fluoro-N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide

5-fluoro-N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide (PubChem CID 122653419) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is 5-fluoro-N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
PubChem CID122653419
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC Name5-fluoro-N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESCOc1ccc(Cc2ccnc(N3CCc4c3ccc(F)c4C(=O)NCCF)c2)cc1F
InChIInChI=1S/C24H22F3N3O2/c1-32-21-5-2-15(13-19(21)27)12-16-6-9-28-22(14-16)30-11-7-17-20(30)4-3-18(26)23(17)24(31)29-10-8-25/h2-6,9,13-14H,7-8,10-12H2,1H3,(H,29,31)
InChIKeyOOKLRYAHZDWCQE-UHFFFAOYSA-N
XLogP4.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 5-fluoro-N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide (CID 122653419) is 5-fluoro-N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 5-fluoro-N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 5-fluoro-N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide is COc1ccc(Cc2ccnc(N3CCc4c3ccc(F)c4C(=O)NCCF)c2)cc1F.
What is the InChIKey of 5-fluoro-N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is OOKLRYAHZDWCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c1-32-21-5-2-15(13-19(21)27)12-16-6-9-28-22(14-16)30-11-7-17-20(30)4-3-18(26)23(17)24(31)29-10-8-25/h2-6,9,13-14H,7-8,10-12H2,1H3,(H,29,31).
What are the key properties of 5-fluoro-N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
5-fluoro-N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 441.45 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 122653419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).