4-(4-chlorophenyl)-2-ethyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C23H21ClF3N3 — CID 134792664

IUPAC4-(4-chlorophenyl)-2-ethyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(Cc1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C23H21ClF3N3/c1-2-21-28-20-11-12-30(13-15-3-7-17(8-4-15)23(25,26)27)14-19(20)22(29-21)16-5-9-18(24)10-6-16/h3-10H,2,11-14H2,1H3
InChIKeyHOSDVQUVEMVLNN-UHFFFAOYSA-N
MW431.89 g/mol
LogP5.94
Rot. Bonds4

About 4-(4-chlorophenyl)-2-ethyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

4-(4-chlorophenyl)-2-ethyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 134792664) has the molecular formula C23H21ClF3N3 and a molecular weight of 431.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-ethyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-ethyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID134792664
Molecular FormulaC23H21ClF3N3
Molecular Weight431.89 g/mol
Exact Mass431.14
IUPAC Name4-(4-chlorophenyl)-2-ethyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(Cc1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C23H21ClF3N3/c1-2-21-28-20-11-12-30(13-15-3-7-17(8-4-15)23(25,26)27)14-19(20)22(29-21)16-5-9-18(24)10-6-16/h3-10H,2,11-14H2,1H3
InChIKeyHOSDVQUVEMVLNN-UHFFFAOYSA-N
XLogP5.94
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.89
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-chlorophenyl)-2-ethyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine 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-ethyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(4-chlorophenyl)-2-ethyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 134792664) is 4-(4-chlorophenyl)-2-ethyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-ethyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)-2-ethyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(Cc1ccc(C(F)(F)F)cc1)CC2.
What is the InChIKey of 4-(4-chlorophenyl)-2-ethyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is HOSDVQUVEMVLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF3N3/c1-2-21-28-20-11-12-30(13-15-3-7-17(8-4-15)23(25,26)27)14-19(20)22(29-21)16-5-9-18(24)10-6-16/h3-10H,2,11-14H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-ethyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
4-(4-chlorophenyl)-2-ethyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 431.89 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-ethyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 134792664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).