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4-cyclopropylidene-2-(1,2-dihydropyridin-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidine

C20H23N5 — CID 142510978

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-cyclopropylidene-2-(1,2-dihydropyridin-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidine
SMILESC1=CC(C2=CC(=C3CC3)N3C=C(N4CCNCC4)C=CC3=N2)=CNC1
InChIInChI=1S/C20H23N5/c1-2-16(13-22-7-1)18-12-19(15-3-4-15)25-14-17(5-6-20(25)23-18)24-10-8-21-9-11-24/h1-2,5-6,12-14,21-22H,3-4,7-11H2
InChIKeyFPFQGPZCXNCCBD-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.99
Rot. Bonds2

About 4-cyclopropylidene-2-(1,2-dihydropyridin-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidine

4-cyclopropylidene-2-(1,2-dihydropyridin-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidine (PubChem CID 142510978) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-cyclopropylidene-2-(1,2-dihydropyridin-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name4-cyclopropylidene-2-(1,2-dihydropyridin-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidine
PubChem CID142510978
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name4-cyclopropylidene-2-(1,2-dihydropyridin-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidine
SMILESC1=CC(C2=CC(=C3CC3)N3C=C(N4CCNCC4)C=CC3=N2)=CNC1
InChIInChI=1S/C20H23N5/c1-2-16(13-22-7-1)18-12-19(15-3-4-15)25-14-17(5-6-20(25)23-18)24-10-8-21-9-11-24/h1-2,5-6,12-14,21-22H,3-4,7-11H2
InChIKeyFPFQGPZCXNCCBD-UHFFFAOYSA-N
XLogP1.99
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylidene-2-(1,2-dihydropyridin-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidine?
The IUPAC name of 4-cyclopropylidene-2-(1,2-dihydropyridin-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidine (CID 142510978) is 4-cyclopropylidene-2-(1,2-dihydropyridin-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidine.
What is the SMILES notation for 4-cyclopropylidene-2-(1,2-dihydropyridin-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidine?
The canonical SMILES for 4-cyclopropylidene-2-(1,2-dihydropyridin-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidine is C1=CC(C2=CC(=C3CC3)N3C=C(N4CCNCC4)C=CC3=N2)=CNC1.
What is the InChIKey of 4-cyclopropylidene-2-(1,2-dihydropyridin-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidine?
The InChIKey is FPFQGPZCXNCCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-2-16(13-22-7-1)18-12-19(15-3-4-15)25-14-17(5-6-20(25)23-18)24-10-8-21-9-11-24/h1-2,5-6,12-14,21-22H,3-4,7-11H2.
What are the key properties of 4-cyclopropylidene-2-(1,2-dihydropyridin-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidine?
4-cyclopropylidene-2-(1,2-dihydropyridin-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidine has a molecular weight of 333.44 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylidene-2-(1,2-dihydropyridin-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidine is sourced from PubChem (CID 142510978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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