6-(3,4-dimethoxyphenyl)-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pteridin-2-amine

C25H26FN7O2 — CID 11488363

IUPAC6-(3,4-dimethoxyphenyl)-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pteridin-2-amine
SMILESCOc1ccc(-c2cnc3nc(N)nc(N4CCN(Cc5ccccc5F)CC4)c3n2)cc1OC
InChIInChI=1S/C25H26FN7O2/c1-34-20-8-7-16(13-21(20)35-2)19-14-28-23-22(29-19)24(31-25(27)30-23)33-11-9-32(10-12-33)15-17-5-3-4-6-18(17)26/h3-8,13-14H,9-12,15H2,1-2H3,(H2,27,28,30,31)
InChIKeyLKFOASGDOSYBKN-UHFFFAOYSA-N
MW475.53 g/mol
LogP3.15
Rot. Bonds6

About 6-(3,4-dimethoxyphenyl)-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pteridin-2-amine

6-(3,4-dimethoxyphenyl)-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pteridin-2-amine (PubChem CID 11488363) has the molecular formula C25H26FN7O2 and a molecular weight of 475.53 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pteridin-2-amine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pteridin-2-amine
PubChem CID11488363
Molecular FormulaC25H26FN7O2
Molecular Weight475.53 g/mol
Exact Mass475.21
IUPAC Name6-(3,4-dimethoxyphenyl)-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pteridin-2-amine
SMILESCOc1ccc(-c2cnc3nc(N)nc(N4CCN(Cc5ccccc5F)CC4)c3n2)cc1OC
InChIInChI=1S/C25H26FN7O2/c1-34-20-8-7-16(13-21(20)35-2)19-14-28-23-22(29-19)24(31-25(27)30-23)33-11-9-32(10-12-33)15-17-5-3-4-6-18(17)26/h3-8,13-14H,9-12,15H2,1-2H3,(H2,27,28,30,31)
InChIKeyLKFOASGDOSYBKN-UHFFFAOYSA-N
XLogP3.15
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pteridin-2-amine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pteridin-2-amine (CID 11488363) is 6-(3,4-dimethoxyphenyl)-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pteridin-2-amine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pteridin-2-amine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pteridin-2-amine is COc1ccc(-c2cnc3nc(N)nc(N4CCN(Cc5ccccc5F)CC4)c3n2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pteridin-2-amine?
The InChIKey is LKFOASGDOSYBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O2/c1-34-20-8-7-16(13-21(20)35-2)19-14-28-23-22(29-19)24(31-25(27)30-23)33-11-9-32(10-12-33)15-17-5-3-4-6-18(17)26/h3-8,13-14H,9-12,15H2,1-2H3,(H2,27,28,30,31).
What are the key properties of 6-(3,4-dimethoxyphenyl)-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pteridin-2-amine?
6-(3,4-dimethoxyphenyl)-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pteridin-2-amine has a molecular weight of 475.53 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pteridin-2-amine is sourced from PubChem (CID 11488363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).