(9aR)-2-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

C18H23N7O2 — CID 95717674

IUPAC(9aR)-2-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCn1ncc2c(N3CCN4C(=O)CNC(=O)[C@H]4C3)nc(C3CCCC3)nc21
InChIInChI=1S/C18H23N7O2/c1-23-16-12(8-20-23)17(22-15(21-16)11-4-2-3-5-11)24-6-7-25-13(10-24)18(27)19-9-14(25)26/h8,11,13H,2-7,9-10H2,1H3,(H,19,27)/t13-/m1/s1
InChIKeyFSFODPGNCILQJT-CYBMUJFWSA-N
MW369.43 g/mol
LogP0.17
Rot. Bonds2

About (9aR)-2-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

(9aR)-2-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 95717674) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is (9aR)-2-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name(9aR)-2-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID95717674
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name(9aR)-2-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCn1ncc2c(N3CCN4C(=O)CNC(=O)[C@H]4C3)nc(C3CCCC3)nc21
InChIInChI=1S/C18H23N7O2/c1-23-16-12(8-20-23)17(22-15(21-16)11-4-2-3-5-11)24-6-7-25-13(10-24)18(27)19-9-14(25)26/h8,11,13H,2-7,9-10H2,1H3,(H,19,27)/t13-/m1/s1
InChIKeyFSFODPGNCILQJT-CYBMUJFWSA-N
XLogP0.17
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (9aR)-2-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione with MolForge

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Related Compounds

1-cyclopentyl-4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one
CID 70758882
1-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-amine
CID 56909758
3-[4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
CID 56899488
4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 154882886
4-[(3R)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136738167
6-cyclopentyl-N-(2-ethylsulfonylethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56902966
6-cyclopentyl-1-methyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56889372
(3aS,6aS)-5-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3-one
CID 163305317
6-cyclohexyl-N-dodecyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 171989089
(9aS)-2-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 56890769
1,6-dimethyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 95578448
1,6-dimethyl-4-(3-pyrrolidin-1-ylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 56816166

Frequently Asked Questions

What is the IUPAC name of (9aR)-2-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of (9aR)-2-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (CID 95717674) is (9aR)-2-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for (9aR)-2-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for (9aR)-2-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is Cn1ncc2c(N3CCN4C(=O)CNC(=O)[C@H]4C3)nc(C3CCCC3)nc21.
What is the InChIKey of (9aR)-2-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is FSFODPGNCILQJT-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-23-16-12(8-20-23)17(22-15(21-16)11-4-2-3-5-11)24-6-7-25-13(10-24)18(27)19-9-14(25)26/h8,11,13H,2-7,9-10H2,1H3,(H,19,27)/t13-/m1/s1.
What are the key properties of (9aR)-2-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
(9aR)-2-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 369.43 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-2-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 95717674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).