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

C35H48N4 — CID 170019582

IUPAC1-[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
SMILESC=C(/C=C\C(=C/C)C1=CC(=C2CCC2)N2C=C(N3CCC(N(C)C)CC3)C=CC2=N1)C1C(C)C=C(C)C1CC
InChIInChI=1S/C35H48N4/c1-8-27(14-13-24(3)35-26(5)21-25(4)31(35)9-2)32-22-33(28-11-10-12-28)39-23-30(15-16-34(39)36-32)38-19-17-29(18-20-38)37(6)7/h8,13-16,21-23,26,29,31,35H,3,9-12,17-20H2,1-2,4-7H3/b14-13-,27-8+
InChIKeyJGHHAFZJVIDSET-JPLJLLHXSA-N
MW524.80 g/mol
LogP7.76
Rot. Bonds7

About 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

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 (PubChem CID 170019582) has the molecular formula C35H48N4 and a molecular weight of 524.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID170019582
Molecular FormulaC35H48N4
Molecular Weight524.80 g/mol
Exact Mass524.39
IUPAC Name1-[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
SMILESC=C(/C=C\C(=C/C)C1=CC(=C2CCC2)N2C=C(N3CCC(N(C)C)CC3)C=CC2=N1)C1C(C)C=C(C)C1CC
InChIInChI=1S/C35H48N4/c1-8-27(14-13-24(3)35-26(5)21-25(4)31(35)9-2)32-22-33(28-11-10-12-28)39-23-30(15-16-34(39)36-32)38-19-17-29(18-20-38)37(6)7/h8,13-16,21-23,26,29,31,35H,3,9-12,17-20H2,1-2,4-7H3/b14-13-,27-8+
InChIKeyJGHHAFZJVIDSET-JPLJLLHXSA-N
XLogP7.76
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.80
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(/C=C\C(=C/C)C1=CC(=C2CCC2)N2C=C(N3CCC(N(C)C)CC3)C=CC2=N1)C1C(C)C=C(C)C1CC.
What is the InChIKey of 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?
The InChIKey is JGHHAFZJVIDSET-JPLJLLHXSA-N. The full InChI is InChI=1S/C35H48N4/c1-8-27(14-13-24(3)35-26(5)21-25(4)31(35)9-2)32-22-33(28-11-10-12-28)39-23-30(15-16-34(39)36-32)38-19-17-29(18-20-38)37(6)7/h8,13-16,21-23,26,29,31,35H,3,9-12,17-20H2,1-2,4-7H3/b14-13-,27-8+.
What are the key properties of 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?
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 has a molecular weight of 524.80 g/mol, XLogP of 7.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170019582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).