4-(4-chlorophenyl)-2-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione

C31H31ClN4O2 — CID 155544812

IUPAC4-(4-chlorophenyl)-2-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione
SMILESO=c1c(-c2ccc(Cl)cc2)c2ccccn2c(=O)n1CCCCN1CCCC(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C31H31ClN4O2/c32-24-14-12-22(13-15-24)29-28-11-3-4-18-35(28)31(38)36(30(29)37)19-6-5-16-34-17-7-8-23(21-34)26-20-33-27-10-2-1-9-25(26)27/h1-4,9-15,18,20,23,33H,5-8,16-17,19,21H2
InChIKeyYEKFBHWENILBLS-UHFFFAOYSA-N
MW527.07 g/mol
LogP5.92
Rot. Bonds7

About 4-(4-chlorophenyl)-2-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione

4-(4-chlorophenyl)-2-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 155544812) has the molecular formula C31H31ClN4O2 and a molecular weight of 527.07 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID155544812
Molecular FormulaC31H31ClN4O2
Molecular Weight527.07 g/mol
Exact Mass526.21
IUPAC Name4-(4-chlorophenyl)-2-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione
SMILESO=c1c(-c2ccc(Cl)cc2)c2ccccn2c(=O)n1CCCCN1CCCC(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C31H31ClN4O2/c32-24-14-12-22(13-15-24)29-28-11-3-4-18-35(28)31(38)36(30(29)37)19-6-5-16-34-17-7-8-23(21-34)26-20-33-27-10-2-1-9-25(26)27/h1-4,9-15,18,20,23,33H,5-8,16-17,19,21H2
InChIKeyYEKFBHWENILBLS-UHFFFAOYSA-N
XLogP5.92
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.07
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-chlorophenyl)-2-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione 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 4-(4-chlorophenyl)-2-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 4-(4-chlorophenyl)-2-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione (CID 155544812) is 4-(4-chlorophenyl)-2-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 4-(4-chlorophenyl)-2-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione is O=c1c(-c2ccc(Cl)cc2)c2ccccn2c(=O)n1CCCCN1CCCC(c2c[nH]c3ccccc23)C1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is YEKFBHWENILBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31ClN4O2/c32-24-14-12-22(13-15-24)29-28-11-3-4-18-35(28)31(38)36(30(29)37)19-6-5-16-34-17-7-8-23(21-34)26-20-33-27-10-2-1-9-25(26)27/h1-4,9-15,18,20,23,33H,5-8,16-17,19,21H2.
What are the key properties of 4-(4-chlorophenyl)-2-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione?
4-(4-chlorophenyl)-2-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 527.07 g/mol, XLogP of 5.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 155544812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).