3-cyclopentyl-6-methyl-5-piperidin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-one

C16H23N5O — CID 90875386

IUPAC3-cyclopentyl-6-methyl-5-piperidin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCn1c(N2CCCCC2)nc2c(C3CCCC3)[nH]nc2c1=O
InChIInChI=1S/C16H23N5O/c1-20-15(22)14-13(12(18-19-14)11-7-3-4-8-11)17-16(20)21-9-5-2-6-10-21/h11H,2-10H2,1H3,(H,18,19)
InChIKeyIJJKXTYQYKGMJQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.30
Rot. Bonds2

About 3-cyclopentyl-6-methyl-5-piperidin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-one

3-cyclopentyl-6-methyl-5-piperidin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 90875386) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-cyclopentyl-6-methyl-5-piperidin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name3-cyclopentyl-6-methyl-5-piperidin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID90875386
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name3-cyclopentyl-6-methyl-5-piperidin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCn1c(N2CCCCC2)nc2c(C3CCCC3)[nH]nc2c1=O
InChIInChI=1S/C16H23N5O/c1-20-15(22)14-13(12(18-19-14)11-7-3-4-8-11)17-16(20)21-9-5-2-6-10-21/h11H,2-10H2,1H3,(H,18,19)
InChIKeyIJJKXTYQYKGMJQ-UHFFFAOYSA-N
XLogP2.30
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-6-methyl-5-piperidin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 3-cyclopentyl-6-methyl-5-piperidin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-one (CID 90875386) is 3-cyclopentyl-6-methyl-5-piperidin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 3-cyclopentyl-6-methyl-5-piperidin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 3-cyclopentyl-6-methyl-5-piperidin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-one is Cn1c(N2CCCCC2)nc2c(C3CCCC3)[nH]nc2c1=O.
What is the InChIKey of 3-cyclopentyl-6-methyl-5-piperidin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is IJJKXTYQYKGMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-20-15(22)14-13(12(18-19-14)11-7-3-4-8-11)17-16(20)21-9-5-2-6-10-21/h11H,2-10H2,1H3,(H,18,19).
What are the key properties of 3-cyclopentyl-6-methyl-5-piperidin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-one?
3-cyclopentyl-6-methyl-5-piperidin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 301.39 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-6-methyl-5-piperidin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 90875386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).