[(2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone

C19H17ClF3N3O — CID 118855392

IUPAC[(2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone
SMILESO=C([C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl)N1Cc2ccccc2C1
InChIInChI=1S/C19H17ClF3N3O/c20-15-8-14(19(21,22)23)9-24-17(15)26-7-3-6-16(26)18(27)25-10-12-4-1-2-5-13(12)11-25/h1-2,4-5,8-9,16H,3,6-7,10-11H2/t16-/m0/s1
InChIKeyQVWBBFBZIPSGNF-INIZCTEOSA-N
MW395.81 g/mol
LogP4.26
Rot. Bonds2

About [(2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone

[(2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 118855392) has the molecular formula C19H17ClF3N3O and a molecular weight of 395.81 g/mol. Its IUPAC name is [(2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID118855392
Molecular FormulaC19H17ClF3N3O
Molecular Weight395.81 g/mol
Exact Mass395.10
IUPAC Name[(2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone
SMILESO=C([C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl)N1Cc2ccccc2C1
InChIInChI=1S/C19H17ClF3N3O/c20-15-8-14(19(21,22)23)9-24-17(15)26-7-3-6-16(26)18(27)25-10-12-4-1-2-5-13(12)11-25/h1-2,4-5,8-9,16H,3,6-7,10-11H2/t16-/m0/s1
InChIKeyQVWBBFBZIPSGNF-INIZCTEOSA-N
XLogP4.26
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.81
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of [(2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone (CID 118855392) is [(2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for [(2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for [(2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone is O=C([C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl)N1Cc2ccccc2C1.
What is the InChIKey of [(2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is QVWBBFBZIPSGNF-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17ClF3N3O/c20-15-8-14(19(21,22)23)9-24-17(15)26-7-3-6-16(26)18(27)25-10-12-4-1-2-5-13(12)11-25/h1-2,4-5,8-9,16H,3,6-7,10-11H2/t16-/m0/s1.
What are the key properties of [(2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone?
[(2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 395.81 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 118855392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).