4-cyclobutylidene-7-(4,5-dimethylazocan-1-yl)-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]pyrido[1,2-a]pyrimidine;ethane

C36H51FN4 — CID 142511365

IUPAC4-cyclobutylidene-7-(4,5-dimethylazocan-1-yl)-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]pyrido[1,2-a]pyrimidine;ethane
SMILESC=C1C(F)=CC(C2=CC(=C3CCC3)N3C=C(N4CCCC(C)C(C)CC4)C=CC3=N2)=CN1/C=C(/C)C(C)CC.CC
InChIInChI=1S/C34H45FN4.C2H6/c1-7-23(2)26(5)20-38-21-29(18-31(35)27(38)6)32-19-33(28-11-8-12-28)39-22-30(13-14-34(39)36-32)37-16-9-10-24(3)25(4)15-17-37;1-2/h13-14,18-25H,6-12,15-17H2,1-5H3;1-2H3/b26-20-;
InChIKeyJRNIICZUAIPZSU-QUIVHVOCSA-N
MW558.83 g/mol
LogP9.73
Rot. Bonds5

About 4-cyclobutylidene-7-(4,5-dimethylazocan-1-yl)-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]pyrido[1,2-a]pyrimidine;ethane

4-cyclobutylidene-7-(4,5-dimethylazocan-1-yl)-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]pyrido[1,2-a]pyrimidine;ethane (PubChem CID 142511365) has the molecular formula C36H51FN4 and a molecular weight of 558.83 g/mol. Its IUPAC name is 4-cyclobutylidene-7-(4,5-dimethylazocan-1-yl)-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]pyrido[1,2-a]pyrimidine;ethane.

Molecular Properties

Compound Name4-cyclobutylidene-7-(4,5-dimethylazocan-1-yl)-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]pyrido[1,2-a]pyrimidine;ethane
PubChem CID142511365
Molecular FormulaC36H51FN4
Molecular Weight558.83 g/mol
Exact Mass558.41
IUPAC Name4-cyclobutylidene-7-(4,5-dimethylazocan-1-yl)-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]pyrido[1,2-a]pyrimidine;ethane
SMILESC=C1C(F)=CC(C2=CC(=C3CCC3)N3C=C(N4CCCC(C)C(C)CC4)C=CC3=N2)=CN1/C=C(/C)C(C)CC.CC
InChIInChI=1S/C34H45FN4.C2H6/c1-7-23(2)26(5)20-38-21-29(18-31(35)27(38)6)32-19-33(28-11-8-12-28)39-22-30(13-14-34(39)36-32)37-16-9-10-24(3)25(4)15-17-37;1-2/h13-14,18-25H,6-12,15-17H2,1-5H3;1-2H3/b26-20-;
InChIKeyJRNIICZUAIPZSU-QUIVHVOCSA-N
XLogP9.73
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.83
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-cyclobutylidene-7-(4,5-dimethylazocan-1-yl)-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]pyrido[1,2-a]pyrimidine;ethane with MolForge

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Related Compounds

(E)-1-[4-cyclobutylidene-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine
CID 142511335
4-cyclobutylidene-7-(4,5-dimethylazocan-1-yl)-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]pyrido[1,2-a]pyrimidine
CID 142511366
(E)-1-[4-cyclobutylidene-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511033
(Z)-3,4-dimethyloct-4-ene;(2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine
CID 142511111
4-cyclobutylidene-2-[(3E,5E,10Z)-2-ethyl-3,11-dimethyl-1-azacycloundeca-1,3,5,10-tetraen-5-yl]-7-(4-methylazocan-1-yl)pyrido[1,2-a]pyrimidine
CID 142511168
3-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpropan-1-amine;(Z)-3,4-dimethyloct-4-ene
CID 142511183
(E)-1-[4-cyclobutylidene-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511334
1-[4-cyclobutylidene-2-[(2E,4Z)-6-(2-ethyl-3,5-dimethylcyclopent-3-en-1-yl)hepta-2,4,6-trien-3-yl]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine
CID 170019582
(2E)-1-[4-cyclopropylidene-7-(4,5-dimethylazocan-1-yl)-9-methylpyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine
CID 170019972
4-cyclobutylidene-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-ethyl-6-methylidene-3-pyridinyl]-N-(2,3-dimethylpentyl)-N-propylpyrido[1,2-a]pyrimidin-7-amine
CID 170020732

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutylidene-7-(4,5-dimethylazocan-1-yl)-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]pyrido[1,2-a]pyrimidine;ethane?
The IUPAC name of 4-cyclobutylidene-7-(4,5-dimethylazocan-1-yl)-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]pyrido[1,2-a]pyrimidine;ethane (CID 142511365) is 4-cyclobutylidene-7-(4,5-dimethylazocan-1-yl)-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]pyrido[1,2-a]pyrimidine;ethane.
What is the SMILES notation for 4-cyclobutylidene-7-(4,5-dimethylazocan-1-yl)-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]pyrido[1,2-a]pyrimidine;ethane?
The canonical SMILES for 4-cyclobutylidene-7-(4,5-dimethylazocan-1-yl)-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]pyrido[1,2-a]pyrimidine;ethane is C=C1C(F)=CC(C2=CC(=C3CCC3)N3C=C(N4CCCC(C)C(C)CC4)C=CC3=N2)=CN1/C=C(/C)C(C)CC.CC.
What is the InChIKey of 4-cyclobutylidene-7-(4,5-dimethylazocan-1-yl)-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]pyrido[1,2-a]pyrimidine;ethane?
The InChIKey is JRNIICZUAIPZSU-QUIVHVOCSA-N. The full InChI is InChI=1S/C34H45FN4.C2H6/c1-7-23(2)26(5)20-38-21-29(18-31(35)27(38)6)32-19-33(28-11-8-12-28)39-22-30(13-14-34(39)36-32)37-16-9-10-24(3)25(4)15-17-37;1-2/h13-14,18-25H,6-12,15-17H2,1-5H3;1-2H3/b26-20-;.
What are the key properties of 4-cyclobutylidene-7-(4,5-dimethylazocan-1-yl)-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]pyrido[1,2-a]pyrimidine;ethane?
4-cyclobutylidene-7-(4,5-dimethylazocan-1-yl)-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]pyrido[1,2-a]pyrimidine;ethane has a molecular weight of 558.83 g/mol, XLogP of 9.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutylidene-7-(4,5-dimethylazocan-1-yl)-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]pyrido[1,2-a]pyrimidine;ethane is sourced from PubChem (CID 142511365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).