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

C24H22F3N3O2 — CID 122655037

IUPAC5-fluoro-N-(2-fluoroethyl)-N-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
SMILESCOc1ccc(Cc2ccnc(N(CCF)C(=O)c3c(F)ccc4c3CCN4)c2)cc1F
InChIInChI=1S/C24H22F3N3O2/c1-32-21-5-2-15(13-19(21)27)12-16-6-9-29-22(14-16)30(11-8-25)24(31)23-17-7-10-28-20(17)4-3-18(23)26/h2-6,9,13-14,28H,7-8,10-12H2,1H3
InChIKeyYWIHZDXYVLGQMP-UHFFFAOYSA-N
MW441.45 g/mol
LogP4.54
Rot. Bonds7

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

5-fluoro-N-(2-fluoroethyl)-N-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide (PubChem CID 122655037) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is 5-fluoro-N-(2-fluoroethyl)-N-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(2-fluoroethyl)-N-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
PubChem CID122655037
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC Name5-fluoro-N-(2-fluoroethyl)-N-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
SMILESCOc1ccc(Cc2ccnc(N(CCF)C(=O)c3c(F)ccc4c3CCN4)c2)cc1F
InChIInChI=1S/C24H22F3N3O2/c1-32-21-5-2-15(13-19(21)27)12-16-6-9-29-22(14-16)30(11-8-25)24(31)23-17-7-10-28-20(17)4-3-18(23)26/h2-6,9,13-14,28H,7-8,10-12H2,1H3
InChIKeyYWIHZDXYVLGQMP-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653710
3-fluoro-4-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110761103
N-[(2R)-3-fluoro-2-hydroxypropyl]-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653587
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[4-(hydroxymethyl)-1H-pyrazol-5-yl]benzamide
CID 118336186
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 86978948
N-[(3-fluoro-4-methoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914500
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 51189808
N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 55130619
2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115668455
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18115743
methyl 4-methoxy-2,3-dihydro-1H-indole-6-carboxylate
CID 68701783

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-fluoroethyl)-N-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?
The IUPAC name of 5-fluoro-N-(2-fluoroethyl)-N-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide (CID 122655037) is 5-fluoro-N-(2-fluoroethyl)-N-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide.
What is the SMILES notation for 5-fluoro-N-(2-fluoroethyl)-N-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?
The canonical SMILES for 5-fluoro-N-(2-fluoroethyl)-N-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide is COc1ccc(Cc2ccnc(N(CCF)C(=O)c3c(F)ccc4c3CCN4)c2)cc1F.
What is the InChIKey of 5-fluoro-N-(2-fluoroethyl)-N-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?
The InChIKey is YWIHZDXYVLGQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c1-32-21-5-2-15(13-19(21)27)12-16-6-9-29-22(14-16)30(11-8-25)24(31)23-17-7-10-28-20(17)4-3-18(23)26/h2-6,9,13-14,28H,7-8,10-12H2,1H3.
What are the key properties of 5-fluoro-N-(2-fluoroethyl)-N-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?
5-fluoro-N-(2-fluoroethyl)-N-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide has a molecular weight of 441.45 g/mol, XLogP of 4.54, 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)-N-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide is sourced from PubChem (CID 122655037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).