3-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]pyrrolidine-1-carboxylic acid

C18H17FN6O2 — CID 57461724

IUPAC3-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]pyrrolidine-1-carboxylic acid
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCN(C(=O)O)C2)n1
InChIInChI=1S/C18H17FN6O2/c19-12-3-1-11(2-4-12)15-16(14-5-7-21-17(20)23-14)25(10-22-15)13-6-8-24(9-13)18(26)27/h1-5,7,10,13H,6,8-9H2,(H,26,27)(H2,20,21,23)
InChIKeyNETVLPJUTMVGND-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.65
Rot. Bonds3

About 3-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]pyrrolidine-1-carboxylic acid

3-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]pyrrolidine-1-carboxylic acid (PubChem CID 57461724) has the molecular formula C18H17FN6O2 and a molecular weight of 368.37 g/mol. Its IUPAC name is 3-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]pyrrolidine-1-carboxylic acid
PubChem CID57461724
Molecular FormulaC18H17FN6O2
Molecular Weight368.37 g/mol
Exact Mass368.14
IUPAC Name3-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]pyrrolidine-1-carboxylic acid
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCN(C(=O)O)C2)n1
InChIInChI=1S/C18H17FN6O2/c19-12-3-1-11(2-4-12)15-16(14-5-7-21-17(20)23-14)25(10-22-15)13-6-8-24(9-13)18(26)27/h1-5,7,10,13H,6,8-9H2,(H,26,27)(H2,20,21,23)
InChIKeyNETVLPJUTMVGND-UHFFFAOYSA-N
XLogP2.65
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]pyrrolidine-1-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

SB-220025
CID 5164
SB 239063
CID 5166
PF-670462
CID 51049607
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
VK-19911
CID 9797240
SB-242235
CID 9863367
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl)pyrimidin-2-ylamine
CID 11681588
SB-216995
CID 5171
N-((R)-1-(4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)phenyl)pyrrolidin-3-yl)acetamide
CID 44578693
4-[5-(4-Fluoro-phenyl)-3-(3-morpholin-4-yl-propyl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 9800117
4-[5-(4-Fluoro-phenyl)-3-(2,2,6,6-tetramethyl-piperidin-4-yl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 10475737
{4-[5-(4-Fluoro-phenyl)-3-(1-methyl-piperidin-4-yl)-3H-imidazol-4-yl]-pyrimidin-2-yl}-phenyl-amine
CID 17892742

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]pyrrolidine-1-carboxylic acid (CID 57461724) is 3-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]pyrrolidine-1-carboxylic acid is Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCN(C(=O)O)C2)n1.
What is the InChIKey of 3-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]pyrrolidine-1-carboxylic acid?
The InChIKey is NETVLPJUTMVGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O2/c19-12-3-1-11(2-4-12)15-16(14-5-7-21-17(20)23-14)25(10-22-15)13-6-8-24(9-13)18(26)27/h1-5,7,10,13H,6,8-9H2,(H,26,27)(H2,20,21,23).
What are the key properties of 3-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]pyrrolidine-1-carboxylic acid?
3-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]pyrrolidine-1-carboxylic acid has a molecular weight of 368.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 57461724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).