[4-(3-fluoro-4-pyridinyl)-1,4-diazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone

C17H19FN4O2 — CID 138385685

IUPAC[4-(3-fluoro-4-pyridinyl)-1,4-diazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCCN(c3ccncc3F)CC2)cn1
InChIInChI=1S/C17H19FN4O2/c1-24-16-4-3-13(11-20-16)17(23)22-8-2-7-21(9-10-22)15-5-6-19-12-14(15)18/h3-6,11-12H,2,7-10H2,1H3
InChIKeyGRIPXGAANDBKPY-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.98
Rot. Bonds3

About [4-(3-fluoro-4-pyridinyl)-1,4-diazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone

[4-(3-fluoro-4-pyridinyl)-1,4-diazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone (PubChem CID 138385685) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is [4-(3-fluoro-4-pyridinyl)-1,4-diazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(3-fluoro-4-pyridinyl)-1,4-diazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
PubChem CID138385685
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name[4-(3-fluoro-4-pyridinyl)-1,4-diazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCCN(c3ccncc3F)CC2)cn1
InChIInChI=1S/C17H19FN4O2/c1-24-16-4-3-13(11-20-16)17(23)22-8-2-7-21(9-10-22)15-5-6-19-12-14(15)18/h3-6,11-12H,2,7-10H2,1H3
InChIKeyGRIPXGAANDBKPY-UHFFFAOYSA-N
XLogP1.98
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(3-fluoro-4-pyridinyl)-1,4-diazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone with MolForge

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Related Compounds

(6-methoxy-3-pyridinyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334454
(6-methoxy-3-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342965
(6-methoxy-3-pyridinyl)-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343113
(6-methoxy-3-pyridinyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344220
[4-(3-fluoro-4-pyridinyl)-1,4-diazepan-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 138387242
(6-methoxy-3-pyridinyl)-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]methanone
CID 138382647
[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 70752019
[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124757534
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 134063116
[4-(2-fluorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84571000
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 96500930
(3-fluoro-4-methoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808459

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoro-4-pyridinyl)-1,4-diazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The IUPAC name of [4-(3-fluoro-4-pyridinyl)-1,4-diazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone (CID 138385685) is [4-(3-fluoro-4-pyridinyl)-1,4-diazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [4-(3-fluoro-4-pyridinyl)-1,4-diazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [4-(3-fluoro-4-pyridinyl)-1,4-diazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone is COc1ccc(C(=O)N2CCCN(c3ccncc3F)CC2)cn1.
What is the InChIKey of [4-(3-fluoro-4-pyridinyl)-1,4-diazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The InChIKey is GRIPXGAANDBKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-24-16-4-3-13(11-20-16)17(23)22-8-2-7-21(9-10-22)15-5-6-19-12-14(15)18/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of [4-(3-fluoro-4-pyridinyl)-1,4-diazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone?
[4-(3-fluoro-4-pyridinyl)-1,4-diazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone has a molecular weight of 330.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluoro-4-pyridinyl)-1,4-diazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 138385685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).