4-propan-2-yl-2-[(4-propan-2-yloxyphenyl)methylamino]pyrido[3,4-b]pyrazin-3-one

C20H24N4O2 — CID 87054622

IUPAC4-propan-2-yl-2-[(4-propan-2-yloxyphenyl)methylamino]pyrido[3,4-b]pyrazin-3-one
SMILESCC(C)Oc1ccc(CNc2nc3ccncc3n(C(C)C)c2=O)cc1
InChIInChI=1S/C20H24N4O2/c1-13(2)24-18-12-21-10-9-17(18)23-19(20(24)25)22-11-15-5-7-16(8-6-15)26-14(3)4/h5-10,12-14H,11H2,1-4H3,(H,22,23)
InChIKeyVRTSCHMIVUJJDL-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.77
Rot. Bonds6

About 4-propan-2-yl-2-[(4-propan-2-yloxyphenyl)methylamino]pyrido[3,4-b]pyrazin-3-one

4-propan-2-yl-2-[(4-propan-2-yloxyphenyl)methylamino]pyrido[3,4-b]pyrazin-3-one (PubChem CID 87054622) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-propan-2-yl-2-[(4-propan-2-yloxyphenyl)methylamino]pyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name4-propan-2-yl-2-[(4-propan-2-yloxyphenyl)methylamino]pyrido[3,4-b]pyrazin-3-one
PubChem CID87054622
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name4-propan-2-yl-2-[(4-propan-2-yloxyphenyl)methylamino]pyrido[3,4-b]pyrazin-3-one
SMILESCC(C)Oc1ccc(CNc2nc3ccncc3n(C(C)C)c2=O)cc1
InChIInChI=1S/C20H24N4O2/c1-13(2)24-18-12-21-10-9-17(18)23-19(20(24)25)22-11-15-5-7-16(8-6-15)26-14(3)4/h5-10,12-14H,11H2,1-4H3,(H,22,23)
InChIKeyVRTSCHMIVUJJDL-UHFFFAOYSA-N
XLogP3.77
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[(4-propan-2-yloxyphenyl)methylamino]pyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 4-propan-2-yl-2-[(4-propan-2-yloxyphenyl)methylamino]pyrido[3,4-b]pyrazin-3-one (CID 87054622) is 4-propan-2-yl-2-[(4-propan-2-yloxyphenyl)methylamino]pyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 4-propan-2-yl-2-[(4-propan-2-yloxyphenyl)methylamino]pyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 4-propan-2-yl-2-[(4-propan-2-yloxyphenyl)methylamino]pyrido[3,4-b]pyrazin-3-one is CC(C)Oc1ccc(CNc2nc3ccncc3n(C(C)C)c2=O)cc1.
What is the InChIKey of 4-propan-2-yl-2-[(4-propan-2-yloxyphenyl)methylamino]pyrido[3,4-b]pyrazin-3-one?
The InChIKey is VRTSCHMIVUJJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13(2)24-18-12-21-10-9-17(18)23-19(20(24)25)22-11-15-5-7-16(8-6-15)26-14(3)4/h5-10,12-14H,11H2,1-4H3,(H,22,23).
What are the key properties of 4-propan-2-yl-2-[(4-propan-2-yloxyphenyl)methylamino]pyrido[3,4-b]pyrazin-3-one?
4-propan-2-yl-2-[(4-propan-2-yloxyphenyl)methylamino]pyrido[3,4-b]pyrazin-3-one has a molecular weight of 352.44 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[(4-propan-2-yloxyphenyl)methylamino]pyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 87054622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).