(4-cyclopropyl-1,4-diazepan-1-yl)-[6-(3-fluorophenoxy)-3-pyridinyl]methanone

C20H22FN3O2 — CID 24771522

IUPAC(4-cyclopropyl-1,4-diazepan-1-yl)-[6-(3-fluorophenoxy)-3-pyridinyl]methanone
SMILESO=C(c1ccc(Oc2cccc(F)c2)nc1)N1CCCN(C2CC2)CC1
InChIInChI=1S/C20H22FN3O2/c21-16-3-1-4-18(13-16)26-19-8-5-15(14-22-19)20(25)24-10-2-9-23(11-12-24)17-6-7-17/h1,3-5,8,13-14,17H,2,6-7,9-12H2
InChIKeyGKJUZPFUCPYNSW-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.32
Rot. Bonds4

About (4-cyclopropyl-1,4-diazepan-1-yl)-[6-(3-fluorophenoxy)-3-pyridinyl]methanone

(4-cyclopropyl-1,4-diazepan-1-yl)-[6-(3-fluorophenoxy)-3-pyridinyl]methanone (PubChem CID 24771522) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is (4-cyclopropyl-1,4-diazepan-1-yl)-[6-(3-fluorophenoxy)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-1,4-diazepan-1-yl)-[6-(3-fluorophenoxy)-3-pyridinyl]methanone
PubChem CID24771522
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name(4-cyclopropyl-1,4-diazepan-1-yl)-[6-(3-fluorophenoxy)-3-pyridinyl]methanone
SMILESO=C(c1ccc(Oc2cccc(F)c2)nc1)N1CCCN(C2CC2)CC1
InChIInChI=1S/C20H22FN3O2/c21-16-3-1-4-18(13-16)26-19-8-5-15(14-22-19)20(25)24-10-2-9-23(11-12-24)17-6-7-17/h1,3-5,8,13-14,17H,2,6-7,9-12H2
InChIKeyGKJUZPFUCPYNSW-UHFFFAOYSA-N
XLogP3.32
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(4-cyclopropyl-1,4-diazepan-1-yl)-[6-(2-fluorophenoxy)-3-pyridinyl]methanone
CID 24771472
3-[5-(4-cyclopropyl-1,4-diazepane-1-carbonyl)pyrazin-2-yl]oxybenzonitrile
CID 57494689
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831
(4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 828765
1,4-diazepan-1-yl-[6-(4-fluorophenoxy)-3-pyridinyl]methanone
CID 24770965
[6-(3-bromophenoxy)-3-pyridinyl]-(1,4-diazepan-1-yl)methanone;dihydrochloride
CID 119417259
(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868479
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 60610905
(6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 61052707
[5-[3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidine-1-carbonyl]-2-pyridinyl] acetate
CID 175270953
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(4-cyclohexyl-1,4-diazepan-1-yl)-[6-(methylamino)-3-pyridinyl]methanone
CID 28954139

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-1,4-diazepan-1-yl)-[6-(3-fluorophenoxy)-3-pyridinyl]methanone?
The IUPAC name of (4-cyclopropyl-1,4-diazepan-1-yl)-[6-(3-fluorophenoxy)-3-pyridinyl]methanone (CID 24771522) is (4-cyclopropyl-1,4-diazepan-1-yl)-[6-(3-fluorophenoxy)-3-pyridinyl]methanone.
What is the SMILES notation for (4-cyclopropyl-1,4-diazepan-1-yl)-[6-(3-fluorophenoxy)-3-pyridinyl]methanone?
The canonical SMILES for (4-cyclopropyl-1,4-diazepan-1-yl)-[6-(3-fluorophenoxy)-3-pyridinyl]methanone is O=C(c1ccc(Oc2cccc(F)c2)nc1)N1CCCN(C2CC2)CC1.
What is the InChIKey of (4-cyclopropyl-1,4-diazepan-1-yl)-[6-(3-fluorophenoxy)-3-pyridinyl]methanone?
The InChIKey is GKJUZPFUCPYNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-16-3-1-4-18(13-16)26-19-8-5-15(14-22-19)20(25)24-10-2-9-23(11-12-24)17-6-7-17/h1,3-5,8,13-14,17H,2,6-7,9-12H2.
What are the key properties of (4-cyclopropyl-1,4-diazepan-1-yl)-[6-(3-fluorophenoxy)-3-pyridinyl]methanone?
(4-cyclopropyl-1,4-diazepan-1-yl)-[6-(3-fluorophenoxy)-3-pyridinyl]methanone has a molecular weight of 355.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-1,4-diazepan-1-yl)-[6-(3-fluorophenoxy)-3-pyridinyl]methanone is sourced from PubChem (CID 24771522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).