4-(4-chlorophenyl)-2-[4-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione

C31H28ClFN4O2 — CID 118726395

IUPAC4-(4-chlorophenyl)-2-[4-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione
SMILESO=c1c(-c2ccc(Cl)cc2)c2ccccn2c(=O)n1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C31H28ClFN4O2/c32-23-8-6-22(7-9-23)29-28-5-1-2-15-36(28)31(39)37(30(29)38)16-4-3-14-35-17-12-21(13-18-35)26-20-34-27-11-10-24(33)19-25(26)27/h1-2,5-12,15,19-20,34H,3-4,13-14,16-18H2
InChIKeyFBQCJIVBLCYBPN-UHFFFAOYSA-N
MW543.04 g/mol
LogP5.97
Rot. Bonds7

About 4-(4-chlorophenyl)-2-[4-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione

4-(4-chlorophenyl)-2-[4-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 118726395) has the molecular formula C31H28ClFN4O2 and a molecular weight of 543.04 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[4-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[4-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID118726395
Molecular FormulaC31H28ClFN4O2
Molecular Weight543.04 g/mol
Exact Mass542.19
IUPAC Name4-(4-chlorophenyl)-2-[4-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione
SMILESO=c1c(-c2ccc(Cl)cc2)c2ccccn2c(=O)n1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C31H28ClFN4O2/c32-23-8-6-22(7-9-23)29-28-5-1-2-15-36(28)31(39)37(30(29)38)16-4-3-14-35-17-12-21(13-18-35)26-20-34-27-11-10-24(33)19-25(26)27/h1-2,5-12,15,19-20,34H,3-4,13-14,16-18H2
InChIKeyFBQCJIVBLCYBPN-UHFFFAOYSA-N
XLogP5.97
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.04
LogP ≤ 55.97
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-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-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-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 4-(4-chlorophenyl)-2-[4-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione (CID 118726395) is 4-(4-chlorophenyl)-2-[4-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[4-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 4-(4-chlorophenyl)-2-[4-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione is O=c1c(-c2ccc(Cl)cc2)c2ccccn2c(=O)n1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[4-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is FBQCJIVBLCYBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28ClFN4O2/c32-23-8-6-22(7-9-23)29-28-5-1-2-15-36(28)31(39)37(30(29)38)16-4-3-14-35-17-12-21(13-18-35)26-20-34-27-11-10-24(33)19-25(26)27/h1-2,5-12,15,19-20,34H,3-4,13-14,16-18H2.
What are the key properties of 4-(4-chlorophenyl)-2-[4-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione?
4-(4-chlorophenyl)-2-[4-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 543.04 g/mol, XLogP of 5.97, 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-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 118726395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).