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

C22H20FN3O2 — CID 122653721

IUPAC1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESCOc1cc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)ccc1F
InChIInChI=1S/C22H20FN3O2/c1-28-20-12-14(5-6-18(20)23)11-15-7-9-25-21(13-15)26-10-8-16-17(22(24)27)3-2-4-19(16)26/h2-7,9,12-13H,8,10-11H2,1H3,(H2,24,27)
InChIKeyWOBXAZNDRLPZSA-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.61
Rot. Bonds5

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

1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide (PubChem CID 122653721) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
PubChem CID122653721
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESCOc1cc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)ccc1F
InChIInChI=1S/C22H20FN3O2/c1-28-20-12-14(5-6-18(20)23)11-15-7-9-25-21(13-15)26-10-8-16-17(22(24)27)3-2-4-19(16)26/h2-7,9,12-13H,8,10-11H2,1H3,(H2,24,27)
InChIKeyWOBXAZNDRLPZSA-UHFFFAOYSA-N
XLogP3.61
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(3-fluoro-4-hydroxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653637
1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653688
N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653710
1-[4-[(5-chloro-3-pyridinyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653624
1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653689
N-[(2R)-3-fluoro-2-hydroxypropyl]-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653587
1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653452
N-propyl-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 145181565
1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxylic acid
CID 122653411
N-[5-(methylamino)-5-oxopentyl]-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122660770
1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 145181575
1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-pyridin-4-yl-2,3-dihydroindole-4-carboxamide
CID 122653603

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide (CID 122653721) is 1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide is COc1cc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)ccc1F.
What is the InChIKey of 1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is WOBXAZNDRLPZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-28-20-12-14(5-6-18(20)23)11-15-7-9-25-21(13-15)26-10-8-16-17(22(24)27)3-2-4-19(16)26/h2-7,9,12-13H,8,10-11H2,1H3,(H2,24,27).
What are the key properties of 1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 122653721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).