(1-cycloheptyltriazol-4-yl)-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone

C20H25FN4O — CID 42462335

IUPAC(1-cycloheptyltriazol-4-yl)-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cn(C2CCCCCC2)nn1)N1CCC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C20H25FN4O/c21-16-11-9-15(10-12-16)19-8-5-13-24(19)20(26)18-14-25(23-22-18)17-6-3-1-2-4-7-17/h9-12,14,17,19H,1-8,13H2/t19-/m1/s1
InChIKeyZXTHMQFZOIWGCV-LJQANCHMSA-N
MW356.44 g/mol
LogP4.29
Rot. Bonds3

About (1-cycloheptyltriazol-4-yl)-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone

(1-cycloheptyltriazol-4-yl)-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 42462335) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is (1-cycloheptyltriazol-4-yl)-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-cycloheptyltriazol-4-yl)-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
PubChem CID42462335
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC Name(1-cycloheptyltriazol-4-yl)-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cn(C2CCCCCC2)nn1)N1CCC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C20H25FN4O/c21-16-11-9-15(10-12-16)19-8-5-13-24(19)20(26)18-14-25(23-22-18)17-6-3-1-2-4-7-17/h9-12,14,17,19H,1-8,13H2/t19-/m1/s1
InChIKeyZXTHMQFZOIWGCV-LJQANCHMSA-N
XLogP4.29
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-phenylazepan-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119737784
[1-(azetidin-3-yl)triazol-4-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 79318877
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 53001446
methyl (2S)-1-(1-cyclohexyltriazole-4-carbonyl)piperidine-2-carboxylate
CID 42355771
2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride
CID 119338691
(1-cyclohexyltriazol-4-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 45191024
(1-cyclohexyltriazol-4-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 42384261
[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
CID 124847822
(1-cyclohexyltriazol-4-yl)-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
CID 42346388
[1-(4-fluorophenyl)pyrazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 86980678
(3-fluorophenyl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747006
(1-cyclohexyltriazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 56912845

Frequently Asked Questions

What is the IUPAC name of (1-cycloheptyltriazol-4-yl)-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-cycloheptyltriazol-4-yl)-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone (CID 42462335) is (1-cycloheptyltriazol-4-yl)-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-cycloheptyltriazol-4-yl)-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-cycloheptyltriazol-4-yl)-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone is O=C(c1cn(C2CCCCCC2)nn1)N1CCC[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (1-cycloheptyltriazol-4-yl)-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is ZXTHMQFZOIWGCV-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25FN4O/c21-16-11-9-15(10-12-16)19-8-5-13-24(19)20(26)18-14-25(23-22-18)17-6-3-1-2-4-7-17/h9-12,14,17,19H,1-8,13H2/t19-/m1/s1.
What are the key properties of (1-cycloheptyltriazol-4-yl)-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
(1-cycloheptyltriazol-4-yl)-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 356.44 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cycloheptyltriazol-4-yl)-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 42462335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).