2-(5-fluoro-3-pyridinyl)-7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine

C17H18FN5 — CID 166059157

IUPAC2-(5-fluoro-3-pyridinyl)-7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine
SMILESFc1cncc(C2=CCN3C=C(N4CCNCC4)C=CC3=N2)c1
InChIInChI=1S/C17H18FN5/c18-14-9-13(10-20-11-14)16-3-6-23-12-15(1-2-17(23)21-16)22-7-4-19-5-8-22/h1-3,9-12,19H,4-8H2
InChIKeySZDIWPWUHYJCJN-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.59
Rot. Bonds2

About 2-(5-fluoro-3-pyridinyl)-7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine

2-(5-fluoro-3-pyridinyl)-7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine (PubChem CID 166059157) has the molecular formula C17H18FN5 and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)-7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine
PubChem CID166059157
Molecular FormulaC17H18FN5
Molecular Weight311.36 g/mol
Exact Mass311.15
IUPAC Name2-(5-fluoro-3-pyridinyl)-7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine
SMILESFc1cncc(C2=CCN3C=C(N4CCNCC4)C=CC3=N2)c1
InChIInChI=1S/C17H18FN5/c18-14-9-13(10-20-11-14)16-3-6-23-12-15(1-2-17(23)21-16)22-7-4-19-5-8-22/h1-3,9-12,19H,4-8H2
InChIKeySZDIWPWUHYJCJN-UHFFFAOYSA-N
XLogP1.59
TPSA43.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-fluoro-3-pyridinyl)-7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

4-(5-fluoro-3-pyridinyl)-2-piperazin-1-yl-1,3-thiazole
CID 114080613
3-(5-fluoro-3-pyridinyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103341963
1-[2-(5-fluoro-3-pyridinyl)ethyl]piperazine
CID 82507856
5-(5-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253573
2-(3-fluorophenyl)-7-piperazin-1-yl-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
CID 144885451
1-[3-(3-fluorophenyl)phenyl]piperazine
CID 82088997
5-(4-fluorophenyl)-2-piperazin-1-ylpyrimidine;hydrochloride
CID 135146269
1-(3,5-dimethyl-4-pyridinyl)piperazine
CID 75355584
6-fluoro-3-methyl-2-piperazin-1-ylquinoline
CID 28809528
5-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 115736836
1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;dihydrochloride
CID 154825593
1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride
CID 23133533

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)-7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine (CID 166059157) is 2-(5-fluoro-3-pyridinyl)-7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine is Fc1cncc(C2=CCN3C=C(N4CCNCC4)C=CC3=N2)c1.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine?
The InChIKey is SZDIWPWUHYJCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5/c18-14-9-13(10-20-11-14)16-3-6-23-12-15(1-2-17(23)21-16)22-7-4-19-5-8-22/h1-3,9-12,19H,4-8H2.
What are the key properties of 2-(5-fluoro-3-pyridinyl)-7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine?
2-(5-fluoro-3-pyridinyl)-7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine has a molecular weight of 311.36 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 166059157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).