1-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-7-[methyl-(5-methylpyrrolidin-3-yl)amino]-3,4-dihydropyrido[4,3-d]pyrimidin-2-one

C25H24Cl2FN5O — CID 142802720

IUPAC1-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-7-[methyl-(5-methylpyrrolidin-3-yl)amino]-3,4-dihydropyrido[4,3-d]pyrimidin-2-one
SMILESCC1CC(N(C)c2cc3c(c(-c4ccc(F)cc4)n2)CNC(=O)N3c2c(Cl)cccc2Cl)CN1
InChIInChI=1S/C25H24Cl2FN5O/c1-14-10-17(12-29-14)32(2)22-11-21-18(23(31-22)15-6-8-16(28)9-7-15)13-30-25(34)33(21)24-19(26)4-3-5-20(24)27/h3-9,11,14,17,29H,10,12-13H2,1-2H3,(H,30,34)
InChIKeyKBERAMDIRDFAIJ-UHFFFAOYSA-N
MW500.41 g/mol
LogP5.74
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-7-[methyl-(5-methylpyrrolidin-3-yl)amino]-3,4-dihydropyrido[4,3-d]pyrimidin-2-one

1-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-7-[methyl-(5-methylpyrrolidin-3-yl)amino]-3,4-dihydropyrido[4,3-d]pyrimidin-2-one (PubChem CID 142802720) has the molecular formula C25H24Cl2FN5O and a molecular weight of 500.41 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-7-[methyl-(5-methylpyrrolidin-3-yl)amino]-3,4-dihydropyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-7-[methyl-(5-methylpyrrolidin-3-yl)amino]-3,4-dihydropyrido[4,3-d]pyrimidin-2-one
PubChem CID142802720
Molecular FormulaC25H24Cl2FN5O
Molecular Weight500.41 g/mol
Exact Mass499.13
IUPAC Name1-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-7-[methyl-(5-methylpyrrolidin-3-yl)amino]-3,4-dihydropyrido[4,3-d]pyrimidin-2-one
SMILESCC1CC(N(C)c2cc3c(c(-c4ccc(F)cc4)n2)CNC(=O)N3c2c(Cl)cccc2Cl)CN1
InChIInChI=1S/C25H24Cl2FN5O/c1-14-10-17(12-29-14)32(2)22-11-21-18(23(31-22)15-6-8-16(28)9-7-15)13-30-25(34)33(21)24-19(26)4-3-5-20(24)27/h3-9,11,14,17,29H,10,12-13H2,1-2H3,(H,30,34)
InChIKeyKBERAMDIRDFAIJ-UHFFFAOYSA-N
XLogP5.74
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.41
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-7-[methyl-(5-methylpyrrolidin-3-yl)amino]-3,4-dihydropyrido[4,3-d]pyrimidin-2-one 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-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-7-[methyl-(5-methylpyrrolidin-3-yl)amino]-3,4-dihydropyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-7-[methyl-(5-methylpyrrolidin-3-yl)amino]-3,4-dihydropyrido[4,3-d]pyrimidin-2-one (CID 142802720) is 1-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-7-[methyl-(5-methylpyrrolidin-3-yl)amino]-3,4-dihydropyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-7-[methyl-(5-methylpyrrolidin-3-yl)amino]-3,4-dihydropyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-7-[methyl-(5-methylpyrrolidin-3-yl)amino]-3,4-dihydropyrido[4,3-d]pyrimidin-2-one is CC1CC(N(C)c2cc3c(c(-c4ccc(F)cc4)n2)CNC(=O)N3c2c(Cl)cccc2Cl)CN1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-7-[methyl-(5-methylpyrrolidin-3-yl)amino]-3,4-dihydropyrido[4,3-d]pyrimidin-2-one?
The InChIKey is KBERAMDIRDFAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2FN5O/c1-14-10-17(12-29-14)32(2)22-11-21-18(23(31-22)15-6-8-16(28)9-7-15)13-30-25(34)33(21)24-19(26)4-3-5-20(24)27/h3-9,11,14,17,29H,10,12-13H2,1-2H3,(H,30,34).
What are the key properties of 1-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-7-[methyl-(5-methylpyrrolidin-3-yl)amino]-3,4-dihydropyrido[4,3-d]pyrimidin-2-one?
1-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-7-[methyl-(5-methylpyrrolidin-3-yl)amino]-3,4-dihydropyrido[4,3-d]pyrimidin-2-one has a molecular weight of 500.41 g/mol, XLogP of 5.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-7-[methyl-(5-methylpyrrolidin-3-yl)amino]-3,4-dihydropyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 142802720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).