N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide

C18H28N6O3 — CID 47017749

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCC1CN(C(C)(C)CNC(=O)Cn2cnc3c(cnn3C)c2=O)CC(C)O1
InChIInChI=1S/C18H28N6O3/c1-12-7-24(8-13(2)27-12)18(3,4)10-19-15(25)9-23-11-20-16-14(17(23)26)6-21-22(16)5/h6,11-13H,7-10H2,1-5H3,(H,19,25)
InChIKeyLCPGFAXRPSZIOA-UHFFFAOYSA-N
MW376.46 g/mol
LogP0.13
Rot. Bonds5

About N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 47017749) has the molecular formula C18H28N6O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID47017749
Molecular FormulaC18H28N6O3
Molecular Weight376.46 g/mol
Exact Mass376.22
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCC1CN(C(C)(C)CNC(=O)Cn2cnc3c(cnn3C)c2=O)CC(C)O1
InChIInChI=1S/C18H28N6O3/c1-12-7-24(8-13(2)27-12)18(3,4)10-19-15(25)9-23-11-20-16-14(17(23)26)6-21-22(16)5/h6,11-13H,7-10H2,1-5H3,(H,19,25)
InChIKeyLCPGFAXRPSZIOA-UHFFFAOYSA-N
XLogP0.13
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 39947293
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 51095654
N-[(4-chlorophenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 25399300
N-(6-methylheptan-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 24629017
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 42010194
N-[(2R)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 95778202
N-[1-(4-tert-butylphenyl)-2-methylpropyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 24597429
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 18152736
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 24644271
N-[4-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 24618274
N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 2138499
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 17435653

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 47017749) is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is CC1CN(C(C)(C)CNC(=O)Cn2cnc3c(cnn3C)c2=O)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is LCPGFAXRPSZIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O3/c1-12-7-24(8-13(2)27-12)18(3,4)10-19-15(25)9-23-11-20-16-14(17(23)26)6-21-22(16)5/h6,11-13H,7-10H2,1-5H3,(H,19,25).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 376.46 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 47017749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).