6-(2-oxopiperidin-1-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C16H15N5O2 — CID 136991244

IUPAC6-(2-oxopiperidin-1-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C1CCCCN1c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C16H15N5O2/c22-13-8-4-5-9-20(13)16-18-14-12(15(23)19-16)10-17-21(14)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,18,19,23)
InChIKeyBMZGBGAEEKNMNA-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.63
Rot. Bonds2

About 6-(2-oxopiperidin-1-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-(2-oxopiperidin-1-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136991244) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 6-(2-oxopiperidin-1-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2-oxopiperidin-1-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136991244
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name6-(2-oxopiperidin-1-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C1CCCCN1c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C16H15N5O2/c22-13-8-4-5-9-20(13)16-18-14-12(15(23)19-16)10-17-21(14)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,18,19,23)
InChIKeyBMZGBGAEEKNMNA-UHFFFAOYSA-N
XLogP1.63
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-6-piperazin-1-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136991240
6-[(3S)-3-hydroxypiperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136757975
6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137269886
3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 135881413
6-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136757977
6-[2-(methylsulfanylmethyl)pyrrolidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137248397
6-[4-(3,5-dimethoxyphenyl)-1,4-diazepan-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166217841
6-[2-(oxolan-2-yl)morpholin-4-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166216929
6-(cyclopropylmethylamino)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 167962667
6-[2-(phenoxymethyl)pyrrolidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137263067
1-phenyl-6-[(2-piperidin-1-ylphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137262155
6-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137266330

Frequently Asked Questions

What is the IUPAC name of 6-(2-oxopiperidin-1-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(2-oxopiperidin-1-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136991244) is 6-(2-oxopiperidin-1-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(2-oxopiperidin-1-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(2-oxopiperidin-1-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=C1CCCCN1c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 6-(2-oxopiperidin-1-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is BMZGBGAEEKNMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c22-13-8-4-5-9-20(13)16-18-14-12(15(23)19-16)10-17-21(14)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,18,19,23).
What are the key properties of 6-(2-oxopiperidin-1-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-(2-oxopiperidin-1-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 309.33 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxopiperidin-1-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136991244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).