[2-[benzyl(methyl)amino]-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-chlorophenyl)methanone

C28H24ClFN4O2 — CID 46073350

IUPAC[2-[benzyl(methyl)amino]-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-chlorophenyl)methanone
SMILESCN(Cc1ccccc1)c1nc2c(c(Oc3ccccc3F)n1)CN(C(=O)c1ccc(Cl)cc1)CC2
InChIInChI=1S/C28H24ClFN4O2/c1-33(17-19-7-3-2-4-8-19)28-31-24-15-16-34(27(35)20-11-13-21(29)14-12-20)18-22(24)26(32-28)36-25-10-6-5-9-23(25)30/h2-14H,15-18H2,1H3
InChIKeyIYXJHFUZQBCDGM-UHFFFAOYSA-N
MW502.98 g/mol
LogP5.90
Rot. Bonds6

About [2-[benzyl(methyl)amino]-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-chlorophenyl)methanone

[2-[benzyl(methyl)amino]-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-chlorophenyl)methanone (PubChem CID 46073350) has the molecular formula C28H24ClFN4O2 and a molecular weight of 502.98 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-chlorophenyl)methanone
PubChem CID46073350
Molecular FormulaC28H24ClFN4O2
Molecular Weight502.98 g/mol
Exact Mass502.16
IUPAC Name[2-[benzyl(methyl)amino]-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-chlorophenyl)methanone
SMILESCN(Cc1ccccc1)c1nc2c(c(Oc3ccccc3F)n1)CN(C(=O)c1ccc(Cl)cc1)CC2
InChIInChI=1S/C28H24ClFN4O2/c1-33(17-19-7-3-2-4-8-19)28-31-24-15-16-34(27(35)20-11-13-21(29)14-12-20)18-22(24)26(32-28)36-25-10-6-5-9-23(25)30/h2-14H,15-18H2,1H3
InChIKeyIYXJHFUZQBCDGM-UHFFFAOYSA-N
XLogP5.90
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.98
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[benzyl(methyl)amino]-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-chlorophenyl)methanone 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 [2-[benzyl(methyl)amino]-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [2-[benzyl(methyl)amino]-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-chlorophenyl)methanone (CID 46073350) is [2-[benzyl(methyl)amino]-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [2-[benzyl(methyl)amino]-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [2-[benzyl(methyl)amino]-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-chlorophenyl)methanone is CN(Cc1ccccc1)c1nc2c(c(Oc3ccccc3F)n1)CN(C(=O)c1ccc(Cl)cc1)CC2.
What is the InChIKey of [2-[benzyl(methyl)amino]-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-chlorophenyl)methanone?
The InChIKey is IYXJHFUZQBCDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClFN4O2/c1-33(17-19-7-3-2-4-8-19)28-31-24-15-16-34(27(35)20-11-13-21(29)14-12-20)18-22(24)26(32-28)36-25-10-6-5-9-23(25)30/h2-14H,15-18H2,1H3.
What are the key properties of [2-[benzyl(methyl)amino]-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-chlorophenyl)methanone?
[2-[benzyl(methyl)amino]-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-chlorophenyl)methanone has a molecular weight of 502.98 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 46073350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).