2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-8-methyl-7-propyl-5,7-dihydropteridin-6-one

C21H24FN7O — CID 146202926

IUPAC2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-8-methyl-7-propyl-5,7-dihydropteridin-6-one
SMILESCCCC1C(=O)Nc2cnc(NCc3cnn(Cc4ccc(F)cc4)c3)nc2N1C
InChIInChI=1S/C21H24FN7O/c1-3-4-18-20(30)26-17-11-24-21(27-19(17)28(18)2)23-9-15-10-25-29(13-15)12-14-5-7-16(22)8-6-14/h5-8,10-11,13,18H,3-4,9,12H2,1-2H3,(H,26,30)(H,23,24,27)
InChIKeyQHVWLCLZWMBXKA-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.03
Rot. Bonds7

About 2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-8-methyl-7-propyl-5,7-dihydropteridin-6-one

2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-8-methyl-7-propyl-5,7-dihydropteridin-6-one (PubChem CID 146202926) has the molecular formula C21H24FN7O and a molecular weight of 409.47 g/mol. Its IUPAC name is 2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-8-methyl-7-propyl-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-8-methyl-7-propyl-5,7-dihydropteridin-6-one
PubChem CID146202926
Molecular FormulaC21H24FN7O
Molecular Weight409.47 g/mol
Exact Mass409.20
IUPAC Name2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-8-methyl-7-propyl-5,7-dihydropteridin-6-one
SMILESCCCC1C(=O)Nc2cnc(NCc3cnn(Cc4ccc(F)cc4)c3)nc2N1C
InChIInChI=1S/C21H24FN7O/c1-3-4-18-20(30)26-17-11-24-21(27-19(17)28(18)2)23-9-15-10-25-29(13-15)12-14-5-7-16(22)8-6-14/h5-8,10-11,13,18H,3-4,9,12H2,1-2H3,(H,26,30)(H,23,24,27)
InChIKeyQHVWLCLZWMBXKA-UHFFFAOYSA-N
XLogP3.03
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-8-methyl-7-propyl-5,7-dihydropteridin-6-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 2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-8-methyl-7-propyl-5,7-dihydropteridin-6-one?
The IUPAC name of 2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-8-methyl-7-propyl-5,7-dihydropteridin-6-one (CID 146202926) is 2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-8-methyl-7-propyl-5,7-dihydropteridin-6-one.
What is the SMILES notation for 2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-8-methyl-7-propyl-5,7-dihydropteridin-6-one?
The canonical SMILES for 2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-8-methyl-7-propyl-5,7-dihydropteridin-6-one is CCCC1C(=O)Nc2cnc(NCc3cnn(Cc4ccc(F)cc4)c3)nc2N1C.
What is the InChIKey of 2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-8-methyl-7-propyl-5,7-dihydropteridin-6-one?
The InChIKey is QHVWLCLZWMBXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN7O/c1-3-4-18-20(30)26-17-11-24-21(27-19(17)28(18)2)23-9-15-10-25-29(13-15)12-14-5-7-16(22)8-6-14/h5-8,10-11,13,18H,3-4,9,12H2,1-2H3,(H,26,30)(H,23,24,27).
What are the key properties of 2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-8-methyl-7-propyl-5,7-dihydropteridin-6-one?
2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-8-methyl-7-propyl-5,7-dihydropteridin-6-one has a molecular weight of 409.47 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-8-methyl-7-propyl-5,7-dihydropteridin-6-one is sourced from PubChem (CID 146202926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).