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

C24H26N6O2 — CID 163215459

IUPAC2-amino-4-(5-methylfuran-2-yl)-8-[2-(4-phenylpiperidin-1-yl)ethyl]pteridin-7-one
SMILESCc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCN2CCC(c3ccccc3)CC2)o1
InChIInChI=1S/C24H26N6O2/c1-16-7-8-19(32-16)21-22-23(28-24(25)27-21)30(20(31)15-26-22)14-13-29-11-9-18(10-12-29)17-5-3-2-4-6-17/h2-8,15,18H,9-14H2,1H3,(H2,25,27,28)
InChIKeyBZOLKXSFTMRASS-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.22
Rot. Bonds5

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

2-amino-4-(5-methylfuran-2-yl)-8-[2-(4-phenylpiperidin-1-yl)ethyl]pteridin-7-one (PubChem CID 163215459) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-amino-4-(5-methylfuran-2-yl)-8-[2-(4-phenylpiperidin-1-yl)ethyl]pteridin-7-one.

Molecular Properties

Compound Name2-amino-4-(5-methylfuran-2-yl)-8-[2-(4-phenylpiperidin-1-yl)ethyl]pteridin-7-one
PubChem CID163215459
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name2-amino-4-(5-methylfuran-2-yl)-8-[2-(4-phenylpiperidin-1-yl)ethyl]pteridin-7-one
SMILESCc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCN2CCC(c3ccccc3)CC2)o1
InChIInChI=1S/C24H26N6O2/c1-16-7-8-19(32-16)21-22-23(28-24(25)27-21)30(20(31)15-26-22)14-13-29-11-9-18(10-12-29)17-5-3-2-4-6-17/h2-8,15,18H,9-14H2,1H3,(H2,25,27,28)
InChIKeyBZOLKXSFTMRASS-UHFFFAOYSA-N
XLogP3.22
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-methylfuran-2-yl)-8-[2-(4-phenylpiperidin-1-yl)ethyl]pteridin-7-one?
The IUPAC name of 2-amino-4-(5-methylfuran-2-yl)-8-[2-(4-phenylpiperidin-1-yl)ethyl]pteridin-7-one (CID 163215459) is 2-amino-4-(5-methylfuran-2-yl)-8-[2-(4-phenylpiperidin-1-yl)ethyl]pteridin-7-one.
What is the SMILES notation for 2-amino-4-(5-methylfuran-2-yl)-8-[2-(4-phenylpiperidin-1-yl)ethyl]pteridin-7-one?
The canonical SMILES for 2-amino-4-(5-methylfuran-2-yl)-8-[2-(4-phenylpiperidin-1-yl)ethyl]pteridin-7-one is Cc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCN2CCC(c3ccccc3)CC2)o1.
What is the InChIKey of 2-amino-4-(5-methylfuran-2-yl)-8-[2-(4-phenylpiperidin-1-yl)ethyl]pteridin-7-one?
The InChIKey is BZOLKXSFTMRASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-16-7-8-19(32-16)21-22-23(28-24(25)27-21)30(20(31)15-26-22)14-13-29-11-9-18(10-12-29)17-5-3-2-4-6-17/h2-8,15,18H,9-14H2,1H3,(H2,25,27,28).
What are the key properties of 2-amino-4-(5-methylfuran-2-yl)-8-[2-(4-phenylpiperidin-1-yl)ethyl]pteridin-7-one?
2-amino-4-(5-methylfuran-2-yl)-8-[2-(4-phenylpiperidin-1-yl)ethyl]pteridin-7-one has a molecular weight of 430.51 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-methylfuran-2-yl)-8-[2-(4-phenylpiperidin-1-yl)ethyl]pteridin-7-one is sourced from PubChem (CID 163215459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).