2-amino-8-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one

C23H23F2N7O2 — CID 166630387

IUPAC2-amino-8-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one
SMILESCc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCN2CCN(c3ccc(F)cc3F)CC2)o1
InChIInChI=1S/C23H23F2N7O2/c1-14-2-5-18(34-14)20-21-22(29-23(26)28-20)32(19(33)13-27-21)11-8-30-6-9-31(10-7-30)17-4-3-15(24)12-16(17)25/h2-5,12-13H,6-11H2,1H3,(H2,26,28,29)
InChIKeyUDZKMJPKHNFRAT-UHFFFAOYSA-N
MW467.48 g/mol
LogP2.44
Rot. Bonds5

About 2-amino-8-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one

2-amino-8-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one (PubChem CID 166630387) has the molecular formula C23H23F2N7O2 and a molecular weight of 467.48 g/mol. Its IUPAC name is 2-amino-8-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one.

Molecular Properties

Compound Name2-amino-8-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one
PubChem CID166630387
Molecular FormulaC23H23F2N7O2
Molecular Weight467.48 g/mol
Exact Mass467.19
IUPAC Name2-amino-8-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one
SMILESCc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCN2CCN(c3ccc(F)cc3F)CC2)o1
InChIInChI=1S/C23H23F2N7O2/c1-14-2-5-18(34-14)20-21-22(29-23(26)28-20)32(19(33)13-27-21)11-8-30-6-9-31(10-7-30)17-4-3-15(24)12-16(17)25/h2-5,12-13H,6-11H2,1H3,(H2,26,28,29)
InChIKeyUDZKMJPKHNFRAT-UHFFFAOYSA-N
XLogP2.44
TPSA106.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one?
The IUPAC name of 2-amino-8-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one (CID 166630387) is 2-amino-8-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one.
What is the SMILES notation for 2-amino-8-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one?
The canonical SMILES for 2-amino-8-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one is Cc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCN2CCN(c3ccc(F)cc3F)CC2)o1.
What is the InChIKey of 2-amino-8-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one?
The InChIKey is UDZKMJPKHNFRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N7O2/c1-14-2-5-18(34-14)20-21-22(29-23(26)28-20)32(19(33)13-27-21)11-8-30-6-9-31(10-7-30)17-4-3-15(24)12-16(17)25/h2-5,12-13H,6-11H2,1H3,(H2,26,28,29).
What are the key properties of 2-amino-8-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one?
2-amino-8-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one has a molecular weight of 467.48 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one is sourced from PubChem (CID 166630387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).