1-cyclopropyl-4-[6-(4-fluorophenoxy)pyrazin-2-yl]-1,4-diazepane

C18H21FN4O — CID 91432319

IUPAC1-cyclopropyl-4-[6-(4-fluorophenoxy)pyrazin-2-yl]-1,4-diazepane
SMILESFc1ccc(Oc2cncc(N3CCCN(C4CC4)CC3)n2)cc1
InChIInChI=1S/C18H21FN4O/c19-14-2-6-16(7-3-14)24-18-13-20-12-17(21-18)23-9-1-8-22(10-11-23)15-4-5-15/h2-3,6-7,12-13,15H,1,4-5,8-11H2
InChIKeyHBDYCDAODBPLBJ-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.08
Rot. Bonds4

About 1-cyclopropyl-4-[6-(4-fluorophenoxy)pyrazin-2-yl]-1,4-diazepane

1-cyclopropyl-4-[6-(4-fluorophenoxy)pyrazin-2-yl]-1,4-diazepane (PubChem CID 91432319) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-cyclopropyl-4-[6-(4-fluorophenoxy)pyrazin-2-yl]-1,4-diazepane.

Molecular Properties

Compound Name1-cyclopropyl-4-[6-(4-fluorophenoxy)pyrazin-2-yl]-1,4-diazepane
PubChem CID91432319
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name1-cyclopropyl-4-[6-(4-fluorophenoxy)pyrazin-2-yl]-1,4-diazepane
SMILESFc1ccc(Oc2cncc(N3CCCN(C4CC4)CC3)n2)cc1
InChIInChI=1S/C18H21FN4O/c19-14-2-6-16(7-3-14)24-18-13-20-12-17(21-18)23-9-1-8-22(10-11-23)15-4-5-15/h2-3,6-7,12-13,15H,1,4-5,8-11H2
InChIKeyHBDYCDAODBPLBJ-UHFFFAOYSA-N
XLogP3.08
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyclobutyl-1,4-diazepan-1-yl)-6-(4-fluorophenoxy)pyridine-3-carbaldehyde
CID 118040774
3-cyclobutyl-7-(6-piperidin-1-ylpyrazin-2-yl)oxy-1,2,4,5-tetrahydro-3-benzazepine
CID 142911888
2-(4-cyclohexylpiperazin-1-yl)-6-methoxypyrazine
CID 171701805
1-ethyl-4-[6-(4-fluorophenoxy)-2-pyridinyl]-1,4-diazepane
CID 91002810
2-(4-cyclopropylpiperazin-1-yl)-6-methylpyrazine
CID 133468968
(1S,5R)-8-methyl-3-[4-(6-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane
CID 99622770
6-(4-cyclopentylpiperazin-1-yl)pyrazin-2-amine
CID 78988801
4-(4-fluorophenoxy)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine
CID 133315639
2-cyclohexyloxy-6-[4-[(6-fluoro-3-pyridinyl)oxy]piperidin-1-yl]pyrazine
CID 154839646
4-(4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 56575278
1-cyclopropyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 61444197
2-(4-cyclopentyl-1,4-diazepan-1-yl)quinoline
CID 70742061

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[6-(4-fluorophenoxy)pyrazin-2-yl]-1,4-diazepane?
The IUPAC name of 1-cyclopropyl-4-[6-(4-fluorophenoxy)pyrazin-2-yl]-1,4-diazepane (CID 91432319) is 1-cyclopropyl-4-[6-(4-fluorophenoxy)pyrazin-2-yl]-1,4-diazepane.
What is the SMILES notation for 1-cyclopropyl-4-[6-(4-fluorophenoxy)pyrazin-2-yl]-1,4-diazepane?
The canonical SMILES for 1-cyclopropyl-4-[6-(4-fluorophenoxy)pyrazin-2-yl]-1,4-diazepane is Fc1ccc(Oc2cncc(N3CCCN(C4CC4)CC3)n2)cc1.
What is the InChIKey of 1-cyclopropyl-4-[6-(4-fluorophenoxy)pyrazin-2-yl]-1,4-diazepane?
The InChIKey is HBDYCDAODBPLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-14-2-6-16(7-3-14)24-18-13-20-12-17(21-18)23-9-1-8-22(10-11-23)15-4-5-15/h2-3,6-7,12-13,15H,1,4-5,8-11H2.
What are the key properties of 1-cyclopropyl-4-[6-(4-fluorophenoxy)pyrazin-2-yl]-1,4-diazepane?
1-cyclopropyl-4-[6-(4-fluorophenoxy)pyrazin-2-yl]-1,4-diazepane has a molecular weight of 328.39 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[6-(4-fluorophenoxy)pyrazin-2-yl]-1,4-diazepane is sourced from PubChem (CID 91432319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).