[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-pyridin-3-ylmethanone

C19H16FN3O — CID 113086895

IUPAC[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CC=C(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C19H16FN3O/c20-15-3-4-18-16(10-15)17(12-22-18)13-5-8-23(9-6-13)19(24)14-2-1-7-21-11-14/h1-5,7,10-12,22H,6,8-9H2
InChIKeyJFUWZBHLFPPYPW-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.63
Rot. Bonds2

About [4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-pyridin-3-ylmethanone

[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-pyridin-3-ylmethanone (PubChem CID 113086895) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is [4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-pyridin-3-ylmethanone
PubChem CID113086895
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CC=C(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C19H16FN3O/c20-15-3-4-18-16(10-15)17(12-22-18)13-5-8-23(9-6-13)19(24)14-2-1-7-21-11-14/h1-5,7,10-12,22H,6,8-9H2
InChIKeyJFUWZBHLFPPYPW-UHFFFAOYSA-N
XLogP3.63
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-pyridin-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-fluorophenyl)methanone
CID 113086869
[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-methylphenyl)methanone
CID 113086866
[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-fluorophenyl)methanone
CID 84559915
(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
[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-chlorophenyl)methanone
CID 84558810
[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-fluorophenyl)methanone
CID 113087091
1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone
CID 113086905
(3,4-difluorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 24632252
(3-bromophenyl)-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 84558955
4-[3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 55728730
(2-chlorophenyl)-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113087028
[6-(cyclopropylmethylamino)-3-pyridinyl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 146075595

Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-pyridin-3-ylmethanone (CID 113086895) is [4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CC=C(c2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of [4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is JFUWZBHLFPPYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c20-15-3-4-18-16(10-15)17(12-22-18)13-5-8-23(9-6-13)19(24)14-2-1-7-21-11-14/h1-5,7,10-12,22H,6,8-9H2.
What are the key properties of [4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-pyridin-3-ylmethanone?
[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 321.36 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 113086895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).