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

C23H24FN7O2 — CID 163215437

IUPAC2-amino-8-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one
SMILESCc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCN2CCN(c3ccccc3F)CC2)o1
InChIInChI=1S/C23H24FN7O2/c1-15-6-7-18(33-15)20-21-22(28-23(25)27-20)31(19(32)14-26-21)13-10-29-8-11-30(12-9-29)17-5-3-2-4-16(17)24/h2-7,14H,8-13H2,1H3,(H2,25,27,28)
InChIKeyAWEGKJSSGCYMGW-UHFFFAOYSA-N
MW449.49 g/mol
LogP2.30
Rot. Bonds5

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

2-amino-8-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one (PubChem CID 163215437) has the molecular formula C23H24FN7O2 and a molecular weight of 449.49 g/mol. Its IUPAC name is 2-amino-8-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one.

Molecular Properties

Compound Name2-amino-8-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one
PubChem CID163215437
Molecular FormulaC23H24FN7O2
Molecular Weight449.49 g/mol
Exact Mass449.20
IUPAC Name2-amino-8-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one
SMILESCc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCN2CCN(c3ccccc3F)CC2)o1
InChIInChI=1S/C23H24FN7O2/c1-15-6-7-18(33-15)20-21-22(28-23(25)27-20)31(19(32)14-26-21)13-10-29-8-11-30(12-9-29)17-5-3-2-4-16(17)24/h2-7,14H,8-13H2,1H3,(H2,25,27,28)
InChIKeyAWEGKJSSGCYMGW-UHFFFAOYSA-N
XLogP2.30
TPSA106.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 52.30
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-fluorophenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one?
The IUPAC name of 2-amino-8-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one (CID 163215437) is 2-amino-8-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one.
What is the SMILES notation for 2-amino-8-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one?
The canonical SMILES for 2-amino-8-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one is Cc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCN2CCN(c3ccccc3F)CC2)o1.
What is the InChIKey of 2-amino-8-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one?
The InChIKey is AWEGKJSSGCYMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O2/c1-15-6-7-18(33-15)20-21-22(28-23(25)27-20)31(19(32)14-26-21)13-10-29-8-11-30(12-9-29)17-5-3-2-4-16(17)24/h2-7,14H,8-13H2,1H3,(H2,25,27,28).
What are the key properties of 2-amino-8-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one?
2-amino-8-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one has a molecular weight of 449.49 g/mol, XLogP of 2.30, 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-fluorophenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one is sourced from PubChem (CID 163215437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).