(3-pyridin-3-ylpyrrolidin-1-yl)-[4-[4-(trifluoromethoxymethyl)phenyl]phenyl]methanone

C24H21F3N2O2 — CID 46846478

IUPAC(3-pyridin-3-ylpyrrolidin-1-yl)-[4-[4-(trifluoromethoxymethyl)phenyl]phenyl]methanone
SMILESO=C(c1ccc(-c2ccc(COC(F)(F)F)cc2)cc1)N1CCC(c2cccnc2)C1
InChIInChI=1S/C24H21F3N2O2/c25-24(26,27)31-16-17-3-5-18(6-4-17)19-7-9-20(10-8-19)23(30)29-13-11-22(15-29)21-2-1-12-28-14-21/h1-10,12,14,22H,11,13,15-16H2
InChIKeyCBQWYQRSKKZWBM-UHFFFAOYSA-N
MW426.44 g/mol
LogP5.41
Rot. Bonds5

About (3-pyridin-3-ylpyrrolidin-1-yl)-[4-[4-(trifluoromethoxymethyl)phenyl]phenyl]methanone

(3-pyridin-3-ylpyrrolidin-1-yl)-[4-[4-(trifluoromethoxymethyl)phenyl]phenyl]methanone (PubChem CID 46846478) has the molecular formula C24H21F3N2O2 and a molecular weight of 426.44 g/mol. Its IUPAC name is (3-pyridin-3-ylpyrrolidin-1-yl)-[4-[4-(trifluoromethoxymethyl)phenyl]phenyl]methanone.

Molecular Properties

Compound Name(3-pyridin-3-ylpyrrolidin-1-yl)-[4-[4-(trifluoromethoxymethyl)phenyl]phenyl]methanone
PubChem CID46846478
Molecular FormulaC24H21F3N2O2
Molecular Weight426.44 g/mol
Exact Mass426.16
IUPAC Name(3-pyridin-3-ylpyrrolidin-1-yl)-[4-[4-(trifluoromethoxymethyl)phenyl]phenyl]methanone
SMILESO=C(c1ccc(-c2ccc(COC(F)(F)F)cc2)cc1)N1CCC(c2cccnc2)C1
InChIInChI=1S/C24H21F3N2O2/c25-24(26,27)31-16-17-3-5-18(6-4-17)19-7-9-20(10-8-19)23(30)29-13-11-22(15-29)21-2-1-12-28-14-21/h1-10,12,14,22H,11,13,15-16H2
InChIKeyCBQWYQRSKKZWBM-UHFFFAOYSA-N
XLogP5.41
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.44
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 96537371
[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 146092927
[4-[1-hydroxy-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 134080726
(3-pyridin-3-ylpyrrolidin-1-yl)-(4-quinolin-3-ylphenyl)methanone
CID 46846484
[4-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethoxy)phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 87382116
(3-pyridin-3-ylpyrrolidin-1-yl)-[3-pyrimidin-5-yl-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]methanone
CID 46847226
(4-pyrazol-1-ylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 67389917
[4-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylphenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 46846683
[1-cyclopropyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 46190582
5-[2-[3,5-bis(trifluoromethyl)phenyl]-5-(3-pyridin-3-ylpyrrolidine-1-carbonyl)phenyl]-1H-pyridin-2-one
CID 46847593
[3-(3-methylimidazol-4-yl)pyrrolidin-1-yl]-[4-(pyridin-3-ylmethoxy)phenyl]methanone
CID 167791002
[4-(4-ethoxy-3-methylphenyl)-2-methylphenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 67435954

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-3-ylpyrrolidin-1-yl)-[4-[4-(trifluoromethoxymethyl)phenyl]phenyl]methanone?
The IUPAC name of (3-pyridin-3-ylpyrrolidin-1-yl)-[4-[4-(trifluoromethoxymethyl)phenyl]phenyl]methanone (CID 46846478) is (3-pyridin-3-ylpyrrolidin-1-yl)-[4-[4-(trifluoromethoxymethyl)phenyl]phenyl]methanone.
What is the SMILES notation for (3-pyridin-3-ylpyrrolidin-1-yl)-[4-[4-(trifluoromethoxymethyl)phenyl]phenyl]methanone?
The canonical SMILES for (3-pyridin-3-ylpyrrolidin-1-yl)-[4-[4-(trifluoromethoxymethyl)phenyl]phenyl]methanone is O=C(c1ccc(-c2ccc(COC(F)(F)F)cc2)cc1)N1CCC(c2cccnc2)C1.
What is the InChIKey of (3-pyridin-3-ylpyrrolidin-1-yl)-[4-[4-(trifluoromethoxymethyl)phenyl]phenyl]methanone?
The InChIKey is CBQWYQRSKKZWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O2/c25-24(26,27)31-16-17-3-5-18(6-4-17)19-7-9-20(10-8-19)23(30)29-13-11-22(15-29)21-2-1-12-28-14-21/h1-10,12,14,22H,11,13,15-16H2.
What are the key properties of (3-pyridin-3-ylpyrrolidin-1-yl)-[4-[4-(trifluoromethoxymethyl)phenyl]phenyl]methanone?
(3-pyridin-3-ylpyrrolidin-1-yl)-[4-[4-(trifluoromethoxymethyl)phenyl]phenyl]methanone has a molecular weight of 426.44 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-3-ylpyrrolidin-1-yl)-[4-[4-(trifluoromethoxymethyl)phenyl]phenyl]methanone is sourced from PubChem (CID 46846478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).