(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]methanone

C16H20F3N3O2 — CID 167840924

IUPAC(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]methanone
SMILESO=C(c1cc(C(O)C(F)(F)F)ccn1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C16H20F3N3O2/c17-16(18,19)14(23)11-3-5-20-13(9-11)15(24)22-8-4-12(10-22)21-6-1-2-7-21/h3,5,9,12,14,23H,1-2,4,6-8,10H2
InChIKeyDXDVVZXRDYIGCR-UHFFFAOYSA-N
MW343.35 g/mol
LogP1.99
Rot. Bonds3

About (3-pyrrolidin-1-ylpyrrolidin-1-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]methanone

(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]methanone (PubChem CID 167840924) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is (3-pyrrolidin-1-ylpyrrolidin-1-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]methanone
PubChem CID167840924
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]methanone
SMILESO=C(c1cc(C(O)C(F)(F)F)ccn1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C16H20F3N3O2/c17-16(18,19)14(23)11-3-5-20-13(9-11)15(24)22-8-4-12(10-22)21-6-1-2-7-21/h3,5,9,12,14,23H,1-2,4,6-8,10H2
InChIKeyDXDVVZXRDYIGCR-UHFFFAOYSA-N
XLogP1.99
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-pyrrolidin-1-ylpyrrolidin-1-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

(4-amino-2-pyridinyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 62160832
(2-hydrazinyl-4-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
CID 63174678
(6-aminopyridazin-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63175300
(2-methyl-1,3-thiazol-4-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110465363
2-[4-(trifluoromethyl)piperidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055905
2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63614455
(6-amino-3-pyridinyl)-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone
CID 95026394
(2-amino-3-pyridinyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63174890
6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile
CID 63717900
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254
(3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63049254
(2,5-difluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 75977527

Frequently Asked Questions

What is the IUPAC name of (3-pyrrolidin-1-ylpyrrolidin-1-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]methanone?
The IUPAC name of (3-pyrrolidin-1-ylpyrrolidin-1-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]methanone (CID 167840924) is (3-pyrrolidin-1-ylpyrrolidin-1-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]methanone.
What is the SMILES notation for (3-pyrrolidin-1-ylpyrrolidin-1-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]methanone?
The canonical SMILES for (3-pyrrolidin-1-ylpyrrolidin-1-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]methanone is O=C(c1cc(C(O)C(F)(F)F)ccn1)N1CCC(N2CCCC2)C1.
What is the InChIKey of (3-pyrrolidin-1-ylpyrrolidin-1-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]methanone?
The InChIKey is DXDVVZXRDYIGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c17-16(18,19)14(23)11-3-5-20-13(9-11)15(24)22-8-4-12(10-22)21-6-1-2-7-21/h3,5,9,12,14,23H,1-2,4,6-8,10H2.
What are the key properties of (3-pyrrolidin-1-ylpyrrolidin-1-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]methanone?
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]methanone has a molecular weight of 343.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrrolidin-1-ylpyrrolidin-1-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 167840924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).