4-[[3-(4-amino-5-methoxypyrimidin-2-yl)indazol-1-yl]methyl]-1-methylpyrrolidin-2-one

C18H20N6O2 — CID 130430054

IUPAC4-[[3-(4-amino-5-methoxypyrimidin-2-yl)indazol-1-yl]methyl]-1-methylpyrrolidin-2-one
SMILESCOc1cnc(-c2nn(CC3CC(=O)N(C)C3)c3ccccc23)nc1N
InChIInChI=1S/C18H20N6O2/c1-23-9-11(7-15(23)25)10-24-13-6-4-3-5-12(13)16(22-24)18-20-8-14(26-2)17(19)21-18/h3-6,8,11H,7,9-10H2,1-2H3,(H2,19,20,21)
InChIKeyUVYWDXIBCJUOOW-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.56
Rot. Bonds4

About 4-[[3-(4-amino-5-methoxypyrimidin-2-yl)indazol-1-yl]methyl]-1-methylpyrrolidin-2-one

4-[[3-(4-amino-5-methoxypyrimidin-2-yl)indazol-1-yl]methyl]-1-methylpyrrolidin-2-one (PubChem CID 130430054) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 4-[[3-(4-amino-5-methoxypyrimidin-2-yl)indazol-1-yl]methyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[[3-(4-amino-5-methoxypyrimidin-2-yl)indazol-1-yl]methyl]-1-methylpyrrolidin-2-one
PubChem CID130430054
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name4-[[3-(4-amino-5-methoxypyrimidin-2-yl)indazol-1-yl]methyl]-1-methylpyrrolidin-2-one
SMILESCOc1cnc(-c2nn(CC3CC(=O)N(C)C3)c3ccccc23)nc1N
InChIInChI=1S/C18H20N6O2/c1-23-9-11(7-15(23)25)10-24-13-6-4-3-5-12(13)16(22-24)18-20-8-14(26-2)17(19)21-18/h3-6,8,11H,7,9-10H2,1-2H3,(H2,19,20,21)
InChIKeyUVYWDXIBCJUOOW-UHFFFAOYSA-N
XLogP1.56
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-amino-5-methoxypyrimidin-2-yl)indazol-1-yl]methyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 4-[[3-(4-amino-5-methoxypyrimidin-2-yl)indazol-1-yl]methyl]-1-methylpyrrolidin-2-one (CID 130430054) is 4-[[3-(4-amino-5-methoxypyrimidin-2-yl)indazol-1-yl]methyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[[3-(4-amino-5-methoxypyrimidin-2-yl)indazol-1-yl]methyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-[[3-(4-amino-5-methoxypyrimidin-2-yl)indazol-1-yl]methyl]-1-methylpyrrolidin-2-one is COc1cnc(-c2nn(CC3CC(=O)N(C)C3)c3ccccc23)nc1N.
What is the InChIKey of 4-[[3-(4-amino-5-methoxypyrimidin-2-yl)indazol-1-yl]methyl]-1-methylpyrrolidin-2-one?
The InChIKey is UVYWDXIBCJUOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-23-9-11(7-15(23)25)10-24-13-6-4-3-5-12(13)16(22-24)18-20-8-14(26-2)17(19)21-18/h3-6,8,11H,7,9-10H2,1-2H3,(H2,19,20,21).
What are the key properties of 4-[[3-(4-amino-5-methoxypyrimidin-2-yl)indazol-1-yl]methyl]-1-methylpyrrolidin-2-one?
4-[[3-(4-amino-5-methoxypyrimidin-2-yl)indazol-1-yl]methyl]-1-methylpyrrolidin-2-one has a molecular weight of 352.40 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-amino-5-methoxypyrimidin-2-yl)indazol-1-yl]methyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 130430054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).