(4-cyclopropyl-1,4-diazepan-1-yl)-[6-(2-fluorophenoxy)-3-pyridinyl]methanone

C20H22FN3O2 — CID 24771472

IUPAC(4-cyclopropyl-1,4-diazepan-1-yl)-[6-(2-fluorophenoxy)-3-pyridinyl]methanone
SMILESO=C(c1ccc(Oc2ccccc2F)nc1)N1CCCN(C2CC2)CC1
InChIInChI=1S/C20H22FN3O2/c21-17-4-1-2-5-18(17)26-19-9-6-15(14-22-19)20(25)24-11-3-10-23(12-13-24)16-7-8-16/h1-2,4-6,9,14,16H,3,7-8,10-13H2
InChIKeyFPXUUCLWUOETAO-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.32
Rot. Bonds4

About (4-cyclopropyl-1,4-diazepan-1-yl)-[6-(2-fluorophenoxy)-3-pyridinyl]methanone

(4-cyclopropyl-1,4-diazepan-1-yl)-[6-(2-fluorophenoxy)-3-pyridinyl]methanone (PubChem CID 24771472) 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-(2-fluorophenoxy)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-1,4-diazepan-1-yl)-[6-(2-fluorophenoxy)-3-pyridinyl]methanone
PubChem CID24771472
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name(4-cyclopropyl-1,4-diazepan-1-yl)-[6-(2-fluorophenoxy)-3-pyridinyl]methanone
SMILESO=C(c1ccc(Oc2ccccc2F)nc1)N1CCCN(C2CC2)CC1
InChIInChI=1S/C20H22FN3O2/c21-17-4-1-2-5-18(17)26-19-9-6-15(14-22-19)20(25)24-11-3-10-23(12-13-24)16-7-8-16/h1-2,4-6,9,14,16H,3,7-8,10-13H2
InChIKeyFPXUUCLWUOETAO-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-(2-fluorophenoxy)-3-pyridinyl]methanone with MolForge

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Related Compounds

(4-cyclopropyl-1,4-diazepan-1-yl)-[6-(3-fluorophenoxy)-3-pyridinyl]methanone
CID 24771522
(4-cyclopropyl-1,4-diazepan-1-yl)-[4-(2-fluorophenoxy)-3-(methylaminomethyl)phenyl]methanone
CID 24856108
[6-(2-bromophenoxy)-3-pyridinyl]-piperidin-1-ylmethanone
CID 166191130
1-(4-cyclopropylpiperazin-1-yl)-2-(2-fluorophenoxy)ethanone
CID 110708570
2-(2-fluorophenoxy)-1-[3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110264227
(4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-pyridin-2-yloxyphenyl]methanone
CID 24856103
6-(2-fluorophenoxy)pyridine-3-carbonyl chloride
CID 23148937
(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-cyclohexyl-1,4-diazepan-1-yl)-[6-(methylamino)-3-pyridinyl]methanone
CID 28954139
2-(2-fluorophenoxy)-1-[4-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 92621742
(4-chlorophenyl)-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90616739

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-1,4-diazepan-1-yl)-[6-(2-fluorophenoxy)-3-pyridinyl]methanone?
The IUPAC name of (4-cyclopropyl-1,4-diazepan-1-yl)-[6-(2-fluorophenoxy)-3-pyridinyl]methanone (CID 24771472) is (4-cyclopropyl-1,4-diazepan-1-yl)-[6-(2-fluorophenoxy)-3-pyridinyl]methanone.
What is the SMILES notation for (4-cyclopropyl-1,4-diazepan-1-yl)-[6-(2-fluorophenoxy)-3-pyridinyl]methanone?
The canonical SMILES for (4-cyclopropyl-1,4-diazepan-1-yl)-[6-(2-fluorophenoxy)-3-pyridinyl]methanone is O=C(c1ccc(Oc2ccccc2F)nc1)N1CCCN(C2CC2)CC1.
What is the InChIKey of (4-cyclopropyl-1,4-diazepan-1-yl)-[6-(2-fluorophenoxy)-3-pyridinyl]methanone?
The InChIKey is FPXUUCLWUOETAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-17-4-1-2-5-18(17)26-19-9-6-15(14-22-19)20(25)24-11-3-10-23(12-13-24)16-7-8-16/h1-2,4-6,9,14,16H,3,7-8,10-13H2.
What are the key properties of (4-cyclopropyl-1,4-diazepan-1-yl)-[6-(2-fluorophenoxy)-3-pyridinyl]methanone?
(4-cyclopropyl-1,4-diazepan-1-yl)-[6-(2-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-(2-fluorophenoxy)-3-pyridinyl]methanone is sourced from PubChem (CID 24771472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).