1,3-dimethyl-5-piperidin-1-yl-6-propylpyrazolo[4,5-d]pyrimidin-7-one

C15H23N5O — CID 39895131

IUPAC1,3-dimethyl-5-piperidin-1-yl-6-propylpyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCn1c(N2CCCCC2)nc2c(C)nn(C)c2c1=O
InChIInChI=1S/C15H23N5O/c1-4-8-20-14(21)13-12(11(2)17-18(13)3)16-15(20)19-9-6-5-7-10-19/h4-10H2,1-3H3
InChIKeyBBCUJNFMHOTFHJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.84
Rot. Bonds3

About 1,3-dimethyl-5-piperidin-1-yl-6-propylpyrazolo[4,5-d]pyrimidin-7-one

1,3-dimethyl-5-piperidin-1-yl-6-propylpyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 39895131) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 1,3-dimethyl-5-piperidin-1-yl-6-propylpyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name1,3-dimethyl-5-piperidin-1-yl-6-propylpyrazolo[4,5-d]pyrimidin-7-one
PubChem CID39895131
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name1,3-dimethyl-5-piperidin-1-yl-6-propylpyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCn1c(N2CCCCC2)nc2c(C)nn(C)c2c1=O
InChIInChI=1S/C15H23N5O/c1-4-8-20-14(21)13-12(11(2)17-18(13)3)16-15(20)19-9-6-5-7-10-19/h4-10H2,1-3H3
InChIKeyBBCUJNFMHOTFHJ-UHFFFAOYSA-N
XLogP1.84
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-piperidin-1-yl-6-propylpyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 1,3-dimethyl-5-piperidin-1-yl-6-propylpyrazolo[4,5-d]pyrimidin-7-one (CID 39895131) is 1,3-dimethyl-5-piperidin-1-yl-6-propylpyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 1,3-dimethyl-5-piperidin-1-yl-6-propylpyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 1,3-dimethyl-5-piperidin-1-yl-6-propylpyrazolo[4,5-d]pyrimidin-7-one is CCCn1c(N2CCCCC2)nc2c(C)nn(C)c2c1=O.
What is the InChIKey of 1,3-dimethyl-5-piperidin-1-yl-6-propylpyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is BBCUJNFMHOTFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-4-8-20-14(21)13-12(11(2)17-18(13)3)16-15(20)19-9-6-5-7-10-19/h4-10H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-piperidin-1-yl-6-propylpyrazolo[4,5-d]pyrimidin-7-one?
1,3-dimethyl-5-piperidin-1-yl-6-propylpyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 289.38 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-piperidin-1-yl-6-propylpyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 39895131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).