2-[[3-(4-fluorophenoxy)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine

C17H17FN4O — CID 154801096

IUPAC2-[[3-(4-fluorophenoxy)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
SMILESFc1ccc(OC2CCN(Cc3cn4cccnc4n3)C2)cc1
InChIInChI=1S/C17H17FN4O/c18-13-2-4-15(5-3-13)23-16-6-9-21(12-16)10-14-11-22-8-1-7-19-17(22)20-14/h1-5,7-8,11,16H,6,9-10,12H2
InChIKeyGDUNRWSEWSFCNS-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.52
Rot. Bonds4

About 2-[[3-(4-fluorophenoxy)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine

2-[[3-(4-fluorophenoxy)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine (PubChem CID 154801096) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenoxy)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[[3-(4-fluorophenoxy)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
PubChem CID154801096
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name2-[[3-(4-fluorophenoxy)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
SMILESFc1ccc(OC2CCN(Cc3cn4cccnc4n3)C2)cc1
InChIInChI=1S/C17H17FN4O/c18-13-2-4-15(5-3-13)23-16-6-9-21(12-16)10-14-11-22-8-1-7-19-17(22)20-14/h1-5,7-8,11,16H,6,9-10,12H2
InChIKeyGDUNRWSEWSFCNS-UHFFFAOYSA-N
XLogP2.52
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[3-(4-fluorophenoxy)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine 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

1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidin-3-ol
CID 103897986
2-[(3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine
CID 65450164
(3S,4R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420023
2-[[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 14518026
2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 43162352
1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,3-dimethylpiperidin-4-amine
CID 120967338
2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 120967196
2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 71899063
methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate
CID 78920324
6-chloro-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 75384817
[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)morpholin-2-yl]methanamine;hydrochloride
CID 120966937
N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-amine
CID 167900121

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenoxy)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[[3-(4-fluorophenoxy)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine (CID 154801096) is 2-[[3-(4-fluorophenoxy)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[[3-(4-fluorophenoxy)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[[3-(4-fluorophenoxy)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine is Fc1ccc(OC2CCN(Cc3cn4cccnc4n3)C2)cc1.
What is the InChIKey of 2-[[3-(4-fluorophenoxy)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The InChIKey is GDUNRWSEWSFCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c18-13-2-4-15(5-3-13)23-16-6-9-21(12-16)10-14-11-22-8-1-7-19-17(22)20-14/h1-5,7-8,11,16H,6,9-10,12H2.
What are the key properties of 2-[[3-(4-fluorophenoxy)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
2-[[3-(4-fluorophenoxy)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine has a molecular weight of 312.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenoxy)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 154801096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).