(3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-2-yl]methanone

C19H24F5N5O — CID 44565871

IUPAC(3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1C[C@H](N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CN1)N1CCC(F)(F)C1
InChIInChI=1S/C19H24F5N5O/c20-18(21)3-4-29(12-18)17(30)15-9-14(11-25-15)27-5-7-28(8-6-27)16-2-1-13(10-26-16)19(22,23)24/h1-2,10,14-15,25H,3-9,11-12H2/t14-,15-/m0/s1
InChIKeyQNOWAPZUTKPHLM-GJZGRUSLSA-N
MW433.43 g/mol
LogP1.82
Rot. Bonds3

About (3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-2-yl]methanone

(3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-2-yl]methanone (PubChem CID 44565871) has the molecular formula C19H24F5N5O and a molecular weight of 433.43 g/mol. Its IUPAC name is (3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-2-yl]methanone
PubChem CID44565871
Molecular FormulaC19H24F5N5O
Molecular Weight433.43 g/mol
Exact Mass433.19
IUPAC Name(3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1C[C@H](N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CN1)N1CCC(F)(F)C1
InChIInChI=1S/C19H24F5N5O/c20-18(21)3-4-29(12-18)17(30)15-9-14(11-25-15)27-5-7-28(8-6-27)16-2-1-13(10-26-16)19(22,23)24/h1-2,10,14-15,25H,3-9,11-12H2/t14-,15-/m0/s1
InChIKeyQNOWAPZUTKPHLM-GJZGRUSLSA-N
XLogP1.82
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-2-yl]methanone?
The IUPAC name of (3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-2-yl]methanone (CID 44565871) is (3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-2-yl]methanone.
What is the SMILES notation for (3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-2-yl]methanone?
The canonical SMILES for (3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-2-yl]methanone is O=C([C@@H]1C[C@H](N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CN1)N1CCC(F)(F)C1.
What is the InChIKey of (3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-2-yl]methanone?
The InChIKey is QNOWAPZUTKPHLM-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H24F5N5O/c20-18(21)3-4-29(12-18)17(30)15-9-14(11-25-15)27-5-7-28(8-6-27)16-2-1-13(10-26-16)19(22,23)24/h1-2,10,14-15,25H,3-9,11-12H2/t14-,15-/m0/s1.
What are the key properties of (3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-2-yl]methanone?
(3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-2-yl]methanone has a molecular weight of 433.43 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-2-yl]methanone is sourced from PubChem (CID 44565871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).