[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone

C18H17FN6O — CID 154850598

IUPAC[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone
SMILESO=C(c1ccnc(-c2ncc[nH]2)c1)N1CCN(c2cncc(F)c2)CC1
InChIInChI=1S/C18H17FN6O/c19-14-10-15(12-20-11-14)24-5-7-25(8-6-24)18(26)13-1-2-21-16(9-13)17-22-3-4-23-17/h1-4,9-12H,5-8H2,(H,22,23)
InChIKeyAAFLCEKVWLDNFQ-UHFFFAOYSA-N
MW352.37 g/mol
LogP1.97
Rot. Bonds3

About [4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone

[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone (PubChem CID 154850598) has the molecular formula C18H17FN6O and a molecular weight of 352.37 g/mol. Its IUPAC name is [4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone
PubChem CID154850598
Molecular FormulaC18H17FN6O
Molecular Weight352.37 g/mol
Exact Mass352.14
IUPAC Name[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone
SMILESO=C(c1ccnc(-c2ncc[nH]2)c1)N1CCN(c2cncc(F)c2)CC1
InChIInChI=1S/C18H17FN6O/c19-14-10-15(12-20-11-14)24-5-7-25(8-6-24)18(26)13-1-2-21-16(9-13)17-22-3-4-23-17/h1-4,9-12H,5-8H2,(H,22,23)
InChIKeyAAFLCEKVWLDNFQ-UHFFFAOYSA-N
XLogP1.97
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone 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

[2-(1H-imidazol-2-yl)-4-pyridinyl]-[4-(4-methoxyphenyl)piperidin-1-yl]methanone
CID 154858565
(4-chloro-1,3-dihydroisoindol-2-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone
CID 136545133
2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 136537490
[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone
CID 109051662
[2-(azepan-1-yl)-4-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109173653
(2R)-2-amino-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-hydroxypropan-1-one
CID 166299019
(3-ethynylmorpholin-4-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone
CID 154796639
(5,6-dichloro-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46798589
[4-[2-(1H-benzimidazol-2-yl)pyridine-4-carbonyl]piperazin-1-yl]-[2-(1H-benzimidazol-2-yl)-4-pyridinyl]methanone
CID 138672421
1-(5-fluoro-3-pyridinyl)-4-prop-1-en-2-ylpiperazine
CID 137468280
[(3R)-3-[6-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 125023182
(4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230061

Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone?
The IUPAC name of [4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone (CID 154850598) is [4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone.
What is the SMILES notation for [4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone?
The canonical SMILES for [4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone is O=C(c1ccnc(-c2ncc[nH]2)c1)N1CCN(c2cncc(F)c2)CC1.
What is the InChIKey of [4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone?
The InChIKey is AAFLCEKVWLDNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O/c19-14-10-15(12-20-11-14)24-5-7-25(8-6-24)18(26)13-1-2-21-16(9-13)17-22-3-4-23-17/h1-4,9-12H,5-8H2,(H,22,23).
What are the key properties of [4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone?
[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone has a molecular weight of 352.37 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 154850598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).