[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(2-methoxyanilino)-3-pyridinyl]methanone

C26H23FN4O2 — CID 55733665

IUPAC[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(2-methoxyanilino)-3-pyridinyl]methanone
SMILESCOc1ccccc1Nc1ncccc1C(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C26H23FN4O2/c1-33-24-7-3-2-6-22(24)30-25-20(5-4-12-28-25)26(32)31-13-10-17(11-14-31)21-16-29-23-15-18(27)8-9-19(21)23/h2-10,12,15-16,29H,11,13-14H2,1H3,(H,28,30)
InChIKeyARNPKSLAKXVHLD-UHFFFAOYSA-N
MW442.49 g/mol
LogP5.38
Rot. Bonds5

About [4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(2-methoxyanilino)-3-pyridinyl]methanone

[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(2-methoxyanilino)-3-pyridinyl]methanone (PubChem CID 55733665) has the molecular formula C26H23FN4O2 and a molecular weight of 442.49 g/mol. Its IUPAC name is [4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(2-methoxyanilino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(2-methoxyanilino)-3-pyridinyl]methanone
PubChem CID55733665
Molecular FormulaC26H23FN4O2
Molecular Weight442.49 g/mol
Exact Mass442.18
IUPAC Name[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(2-methoxyanilino)-3-pyridinyl]methanone
SMILESCOc1ccccc1Nc1ncccc1C(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C26H23FN4O2/c1-33-24-7-3-2-6-22(24)30-25-20(5-4-12-28-25)26(32)31-13-10-17(11-14-31)21-16-29-23-15-18(27)8-9-19(21)23/h2-10,12,15-16,29H,11,13-14H2,1H3,(H,28,30)
InChIKeyARNPKSLAKXVHLD-UHFFFAOYSA-N
XLogP5.38
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.49
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113087028
(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 55730428
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(2-methoxyanilino)-3-pyridinyl]methanone
CID 38209532
3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-7-methyl-1H-1,8-naphthyridin-4-one
CID 60516238
(2-methoxy-5-methylphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 112535065
4-(6-fluoro-1H-indol-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 113087048
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(2-methoxyanilino)-3-pyridinyl]methanone
CID 134008379
[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 48593711
[6-(cyclopropylmethylamino)-3-pyridinyl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 146075595
(5S)-5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
CID 95045762
N-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 55727952
N-[3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide
CID 55849171

Frequently Asked Questions

What is the IUPAC name of [4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(2-methoxyanilino)-3-pyridinyl]methanone?
The IUPAC name of [4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(2-methoxyanilino)-3-pyridinyl]methanone (CID 55733665) is [4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(2-methoxyanilino)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(2-methoxyanilino)-3-pyridinyl]methanone?
The canonical SMILES for [4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(2-methoxyanilino)-3-pyridinyl]methanone is COc1ccccc1Nc1ncccc1C(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of [4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(2-methoxyanilino)-3-pyridinyl]methanone?
The InChIKey is ARNPKSLAKXVHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O2/c1-33-24-7-3-2-6-22(24)30-25-20(5-4-12-28-25)26(32)31-13-10-17(11-14-31)21-16-29-23-15-18(27)8-9-19(21)23/h2-10,12,15-16,29H,11,13-14H2,1H3,(H,28,30).
What are the key properties of [4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(2-methoxyanilino)-3-pyridinyl]methanone?
[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(2-methoxyanilino)-3-pyridinyl]methanone has a molecular weight of 442.49 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(2-methoxyanilino)-3-pyridinyl]methanone is sourced from PubChem (CID 55733665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).