6-[1-[(2R,4R)-1,2-dimethylpiperidine-4-carbonyl]azetidin-3-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C17H24N6O2 — CID 166384302

IUPAC6-[1-[(2R,4R)-1,2-dimethylpiperidine-4-carbonyl]azetidin-3-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@@H]1C[C@H](C(=O)N2CC(c3nc4c(cnn4C)c(=O)[nH]3)C2)CCN1C
InChIInChI=1S/C17H24N6O2/c1-10-6-11(4-5-21(10)2)17(25)23-8-12(9-23)14-19-15-13(16(24)20-14)7-18-22(15)3/h7,10-12H,4-6,8-9H2,1-3H3,(H,19,20,24)/t10-,11-/m1/s1
InChIKeyGQGHHNHWBCYVQY-GHMZBOCLSA-N
MW344.42 g/mol
LogP0.31
Rot. Bonds2

About 6-[1-[(2R,4R)-1,2-dimethylpiperidine-4-carbonyl]azetidin-3-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[1-[(2R,4R)-1,2-dimethylpiperidine-4-carbonyl]azetidin-3-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 166384302) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-[1-[(2R,4R)-1,2-dimethylpiperidine-4-carbonyl]azetidin-3-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[1-[(2R,4R)-1,2-dimethylpiperidine-4-carbonyl]azetidin-3-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID166384302
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name6-[1-[(2R,4R)-1,2-dimethylpiperidine-4-carbonyl]azetidin-3-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@@H]1C[C@H](C(=O)N2CC(c3nc4c(cnn4C)c(=O)[nH]3)C2)CCN1C
InChIInChI=1S/C17H24N6O2/c1-10-6-11(4-5-21(10)2)17(25)23-8-12(9-23)14-19-15-13(16(24)20-14)7-18-22(15)3/h7,10-12H,4-6,8-9H2,1-3H3,(H,19,20,24)/t10-,11-/m1/s1
InChIKeyGQGHHNHWBCYVQY-GHMZBOCLSA-N
XLogP0.31
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[1-[(2R,4R)-1,2-dimethylpiperidine-4-carbonyl]azetidin-3-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-cyclobutyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)benzamide
CID 154789388
6-[(1R,6S)-2-azabicyclo[4.1.0]heptan-2-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137136400
1-methyl-6-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136580596
6-(cycloheptylamino)-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135993684
(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 51854360
2-cyclohexyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)acetamide
CID 167937950
(3R)-N-(cyclopropylmethyl)-1-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidine-3-carboxamide
CID 136706993
1-methyl-6-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166311263
azepan-1-yl-(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 44822718
1-methyl-6-[[3-(pyridine-2-carbonyl)piperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136663726
3-(1-cyclohexyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-[4-(dimethylamino)phenyl]azetidine-1-carboxamide
CID 135867306
1-methyl-6-[4-[4-(4-methylbenzoyl)piperidin-1-yl]-4-oxobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136929613

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2R,4R)-1,2-dimethylpiperidine-4-carbonyl]azetidin-3-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[1-[(2R,4R)-1,2-dimethylpiperidine-4-carbonyl]azetidin-3-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 166384302) is 6-[1-[(2R,4R)-1,2-dimethylpiperidine-4-carbonyl]azetidin-3-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[1-[(2R,4R)-1,2-dimethylpiperidine-4-carbonyl]azetidin-3-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[1-[(2R,4R)-1,2-dimethylpiperidine-4-carbonyl]azetidin-3-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is C[C@@H]1C[C@H](C(=O)N2CC(c3nc4c(cnn4C)c(=O)[nH]3)C2)CCN1C.
What is the InChIKey of 6-[1-[(2R,4R)-1,2-dimethylpiperidine-4-carbonyl]azetidin-3-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is GQGHHNHWBCYVQY-GHMZBOCLSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-10-6-11(4-5-21(10)2)17(25)23-8-12(9-23)14-19-15-13(16(24)20-14)7-18-22(15)3/h7,10-12H,4-6,8-9H2,1-3H3,(H,19,20,24)/t10-,11-/m1/s1.
What are the key properties of 6-[1-[(2R,4R)-1,2-dimethylpiperidine-4-carbonyl]azetidin-3-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[1-[(2R,4R)-1,2-dimethylpiperidine-4-carbonyl]azetidin-3-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 344.42 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(2R,4R)-1,2-dimethylpiperidine-4-carbonyl]azetidin-3-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 166384302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).