2-[1-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid

C17H18F2N4O2 — CID 154846680

IUPAC2-[1-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid
SMILESCC(F)(F)c1cccc(CN2CCCC2c2ncc(C(=O)O)cn2)n1
InChIInChI=1S/C17H18F2N4O2/c1-17(18,19)14-6-2-4-12(22-14)10-23-7-3-5-13(23)15-20-8-11(9-21-15)16(24)25/h2,4,6,8-9,13H,3,5,7,10H2,1H3,(H,24,25)
InChIKeyFDMMNZKBFLBJRC-UHFFFAOYSA-N
MW348.35 g/mol
LogP3.02
Rot. Bonds5

About 2-[1-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid

2-[1-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid (PubChem CID 154846680) has the molecular formula C17H18F2N4O2 and a molecular weight of 348.35 g/mol. Its IUPAC name is 2-[1-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid
PubChem CID154846680
Molecular FormulaC17H18F2N4O2
Molecular Weight348.35 g/mol
Exact Mass348.14
IUPAC Name2-[1-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid
SMILESCC(F)(F)c1cccc(CN2CCCC2c2ncc(C(=O)O)cn2)n1
InChIInChI=1S/C17H18F2N4O2/c1-17(18,19)14-6-2-4-12(22-14)10-23-7-3-5-13(23)15-20-8-11(9-21-15)16(24)25/h2,4,6,8-9,13H,3,5,7,10H2,1H3,(H,24,25)
InChIKeyFDMMNZKBFLBJRC-UHFFFAOYSA-N
XLogP3.02
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid 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

2-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]pyrimidine-5-carboxylic acid
CID 146144651
2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid
CID 146144666
4-[[2-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]methyl]benzoic acid
CID 138032201
N-[[6-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124946164
3-[(2-pyrazin-2-ylpyrrolidin-1-yl)methyl]benzoic acid
CID 110103100
tert-butyl N-[2-[2-(5-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethyl]carbamate
CID 144936831
4-[[6-(1,1-difluoroethyl)-2-pyridinyl]methylamino]bicyclo[2.2.2]octane-1-carboxylic acid
CID 167779807
4-tert-butyl-N-[4-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide
CID 132772107
2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide
CID 125019699
3-[[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 124965532
1,1-dioxo-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,4-thiazinane-3-carboxylic acid
CID 166258405
(2S,4R)-4-methoxy-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-2-carboxylic acid
CID 166295138

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[1-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid (CID 154846680) is 2-[1-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[1-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[1-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid is CC(F)(F)c1cccc(CN2CCCC2c2ncc(C(=O)O)cn2)n1.
What is the InChIKey of 2-[1-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid?
The InChIKey is FDMMNZKBFLBJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O2/c1-17(18,19)14-6-2-4-12(22-14)10-23-7-3-5-13(23)15-20-8-11(9-21-15)16(24)25/h2,4,6,8-9,13H,3,5,7,10H2,1H3,(H,24,25).
What are the key properties of 2-[1-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid?
2-[1-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid has a molecular weight of 348.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 154846680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).