2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one

C24H21FN6O — CID 3233664

IUPAC2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one
SMILESCCNc1ncc2nc(-c3cn(C)c4ccccc34)c(=O)n(Cc3ccc(F)cc3)c2n1
InChIInChI=1S/C24H21FN6O/c1-3-26-24-27-12-19-22(29-24)31(13-15-8-10-16(25)11-9-15)23(32)21(28-19)18-14-30(2)20-7-5-4-6-17(18)20/h4-12,14H,3,13H2,1-2H3,(H,26,27,29)
InChIKeyVBDWORUCEYPYNU-UHFFFAOYSA-N
MW428.47 g/mol
LogP3.96
Rot. Bonds5

About 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one

2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one (PubChem CID 3233664) has the molecular formula C24H21FN6O and a molecular weight of 428.47 g/mol. Its IUPAC name is 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one
PubChem CID3233664
Molecular FormulaC24H21FN6O
Molecular Weight428.47 g/mol
Exact Mass428.18
IUPAC Name2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one
SMILESCCNc1ncc2nc(-c3cn(C)c4ccccc34)c(=O)n(Cc3ccc(F)cc3)c2n1
InChIInChI=1S/C24H21FN6O/c1-3-26-24-27-12-19-22(29-24)31(13-15-8-10-16(25)11-9-15)23(32)21(28-19)18-14-30(2)20-7-5-4-6-17(18)20/h4-12,14H,3,13H2,1-2H3,(H,26,27,29)
InChIKeyVBDWORUCEYPYNU-UHFFFAOYSA-N
XLogP3.96
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one?
The IUPAC name of 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one (CID 3233664) is 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one.
What is the SMILES notation for 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one?
The canonical SMILES for 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one is CCNc1ncc2nc(-c3cn(C)c4ccccc34)c(=O)n(Cc3ccc(F)cc3)c2n1.
What is the InChIKey of 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one?
The InChIKey is VBDWORUCEYPYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O/c1-3-26-24-27-12-19-22(29-24)31(13-15-8-10-16(25)11-9-15)23(32)21(28-19)18-14-30(2)20-7-5-4-6-17(18)20/h4-12,14H,3,13H2,1-2H3,(H,26,27,29).
What are the key properties of 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one?
2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one has a molecular weight of 428.47 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one is sourced from PubChem (CID 3233664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).