Falnidamol
4-N-(3-chloro-4-fluorophenyl)-6-N-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine
Molecular Identity
Falnidamol
4-N-(3-chloro-4-fluorophenyl)-6-N-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine
PubChem CID: 6918508
N4-(3-chloro-4-fluorophenyl)-N6-(1-methyl-4-piperidinyl)pyrimido[5,4-d]pyrimidine-4,6-diamine is a substituted aniline.
2D Structure
Properties
C18H19ClFN7
Molecular Formula
387.80
Molecular Weight
g/mol
387.1374
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
78.9
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
479
Complexity
SMILES
Canonical SMILES
SMILES: CN1CCC(CC1)NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)ClIsomeric SMILES
SMILES: CN1CCC(CC1)NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)ClSynonyms(20)
FalnidamolBIBX 1382BIBX1382BIBX-1382Falnidamol [INN]N8-(3-Chloro-4-fluorophenyl)-N2-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-2,8-diamine0MU316797DUNII-0MU316797DFALNIDAMOL [WHO-DD]DTXSID00483998-(3-Chloro-4-fluoroanilino)-2-((1-methyl-4-piperidyl)amino)pyrimido(5,4-d)pyrimidineN-(3-chloro-4-fluorophenyl)-N'-(1-methylpiperidin-4-yl)pyrimido[4,5-e]pyrimidine-4,6-diamineN8-(3-CHLORO-4-FLUOROPHENYL)-N2-(1-METHYLPIPERIDIN-4-YL)PYRIMIDO[5,4-D][1,3]DIAZINE-2,8-DIAMINEPyrimido(5,4-d)pyrimidine-2,8-diamine, N8-(3-chloro-4-fluorophenyl)-N2-(1-methyl-4-piperidinyl)-falnidamolum
Data from PubChem (NCBI)
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