(7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1-methylpyrazol-4-yl)-7H-pteridin-6-one

C22H21FN8O — CID 53261787

IUPAC(7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1-methylpyrazol-4-yl)-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1c1cnn(C)c1
InChIInChI=1S/C22H21FN8O/c1-4-17-21(32)29(3)18-12-25-22(27-20(18)31(17)16-11-26-28(2)13-16)30-10-9-24-19(30)14-5-7-15(23)8-6-14/h5-13,17H,4H2,1-3H3/t17-/m1/s1
InChIKeyRVEBOFKFYDCQPT-QGZVFWFLSA-N
MW432.46 g/mol
LogP3.10
Rot. Bonds4

About (7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1-methylpyrazol-4-yl)-7H-pteridin-6-one

(7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1-methylpyrazol-4-yl)-7H-pteridin-6-one (PubChem CID 53261787) has the molecular formula C22H21FN8O and a molecular weight of 432.46 g/mol. Its IUPAC name is (7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1-methylpyrazol-4-yl)-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1-methylpyrazol-4-yl)-7H-pteridin-6-one
PubChem CID53261787
Molecular FormulaC22H21FN8O
Molecular Weight432.46 g/mol
Exact Mass432.18
IUPAC Name(7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1-methylpyrazol-4-yl)-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1c1cnn(C)c1
InChIInChI=1S/C22H21FN8O/c1-4-17-21(32)29(3)18-12-25-22(27-20(18)31(17)16-11-26-28(2)13-16)30-10-9-24-19(30)14-5-7-15(23)8-6-14/h5-13,17H,4H2,1-3H3/t17-/m1/s1
InChIKeyRVEBOFKFYDCQPT-QGZVFWFLSA-N
XLogP3.10
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1-methylpyrazol-4-yl)-7H-pteridin-6-one?
The IUPAC name of (7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1-methylpyrazol-4-yl)-7H-pteridin-6-one (CID 53261787) is (7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1-methylpyrazol-4-yl)-7H-pteridin-6-one.
What is the SMILES notation for (7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1-methylpyrazol-4-yl)-7H-pteridin-6-one?
The canonical SMILES for (7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1-methylpyrazol-4-yl)-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1c1cnn(C)c1.
What is the InChIKey of (7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1-methylpyrazol-4-yl)-7H-pteridin-6-one?
The InChIKey is RVEBOFKFYDCQPT-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H21FN8O/c1-4-17-21(32)29(3)18-12-25-22(27-20(18)31(17)16-11-26-28(2)13-16)30-10-9-24-19(30)14-5-7-15(23)8-6-14/h5-13,17H,4H2,1-3H3/t17-/m1/s1.
What are the key properties of (7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1-methylpyrazol-4-yl)-7H-pteridin-6-one?
(7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1-methylpyrazol-4-yl)-7H-pteridin-6-one has a molecular weight of 432.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1-methylpyrazol-4-yl)-7H-pteridin-6-one is sourced from PubChem (CID 53261787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).