3-cyclopropyl-1-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C16H23N5O — CID 178026662

IUPAC3-cyclopropyl-1-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(C3CC3)nn2C2C[C@@H](C)N[C@@H](C)C2)c(=O)[nH]1
InChIInChI=1S/C16H23N5O/c1-8-6-12(7-9(2)17-8)21-15-13(14(20-21)11-4-5-11)16(22)19-10(3)18-15/h8-9,11-12,17H,4-7H2,1-3H3,(H,18,19,22)/t8-,9+,12?
InChIKeyYSTQZFCFDWAZEQ-USUYBEQLSA-N
MW301.39 g/mol
LogP2.01
Rot. Bonds2

About 3-cyclopropyl-1-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

3-cyclopropyl-1-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 178026662) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-1-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID178026662
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name3-cyclopropyl-1-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(C3CC3)nn2C2C[C@@H](C)N[C@@H](C)C2)c(=O)[nH]1
InChIInChI=1S/C16H23N5O/c1-8-6-12(7-9(2)17-8)21-15-13(14(20-21)11-4-5-11)16(22)19-10(3)18-15/h8-9,11-12,17H,4-7H2,1-3H3,(H,18,19,22)/t8-,9+,12?
InChIKeyYSTQZFCFDWAZEQ-USUYBEQLSA-N
XLogP2.01
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-cyclopropyl-1-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 178026662) is 3-cyclopropyl-1-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-cyclopropyl-1-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-cyclopropyl-1-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1nc2c(c(C3CC3)nn2C2C[C@@H](C)N[C@@H](C)C2)c(=O)[nH]1.
What is the InChIKey of 3-cyclopropyl-1-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is YSTQZFCFDWAZEQ-USUYBEQLSA-N. The full InChI is InChI=1S/C16H23N5O/c1-8-6-12(7-9(2)17-8)21-15-13(14(20-21)11-4-5-11)16(22)19-10(3)18-15/h8-9,11-12,17H,4-7H2,1-3H3,(H,18,19,22)/t8-,9+,12?.
What are the key properties of 3-cyclopropyl-1-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
3-cyclopropyl-1-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 301.39 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 178026662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).