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

C20H23N5 — CID 142510978

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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Related Compounds

(2E)-1-[4-cyclopropylidene-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511187
(Z)-1-N'-[6-[4-(1,2-dihydropyridin-4-yl)piperazin-1-yl]-2-[(1E,3E,5Z)-3-ethenylhepta-1,3,5-trienyl]-3-methyl-2H-pyrimidin-4-yl]-1-N-methylbut-2-ene-1,1,3-triamine
CID 144004911
1-[(5Z,6E)-5-ethylidene-6-prop-2-enylidene-2-pyridinyl]piperazine
CID 156377873
(E)-1-[4-cyclopropylidene-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine
CID 170020149
8-(1-piperazin-1-ylethyl)-2H-pyrido[1,2-a]pyrimidine
CID 170048765
1-[(5Z)-5-ethylidene-6-methylidene-2-pyridinyl]piperazine
CID 170154366
7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine
CID 175946614
(2E)-1-methyl-2-(3-methylpent-2-enylidene)-4-piperazin-1-ylpyrimidine
CID 176942034
(2E)-1-[4-cyclopropylidene-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine
CID 142511188
(2E)-1-(4-cyclobutylidene-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3-dimethylpenta-2,4-dien-1-imine
CID 142511299
(2E)-1-(4-cyclobutylidene-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine
CID 142511302
(E)-1-(4-cyclobutylidene-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine
CID 142511415

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).