6-[[1-(3,3-dicyclopropylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one

C27H33N5O3 — CID 134451486

IUPAC6-[[1-(3,3-dicyclopropylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one
SMILESCn1nc2c(=O)n(CC3(O)CCN(C(=O)CC(C4CC4)C4CC4)CC3)cnc2c1-c1ccccc1
InChIInChI=1S/C27H33N5O3/c1-30-25(20-5-3-2-4-6-20)23-24(29-30)26(34)32(17-28-23)16-27(35)11-13-31(14-12-27)22(33)15-21(18-7-8-18)19-9-10-19/h2-6,17-19,21,35H,7-16H2,1H3
InChIKeyLMIOGDRAIURVCW-UHFFFAOYSA-N
MW475.59 g/mol
LogP2.98
Rot. Bonds7

About 6-[[1-(3,3-dicyclopropylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one

6-[[1-(3,3-dicyclopropylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 134451486) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is 6-[[1-(3,3-dicyclopropylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[[1-(3,3-dicyclopropylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one
PubChem CID134451486
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC Name6-[[1-(3,3-dicyclopropylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one
SMILESCn1nc2c(=O)n(CC3(O)CCN(C(=O)CC(C4CC4)C4CC4)CC3)cnc2c1-c1ccccc1
InChIInChI=1S/C27H33N5O3/c1-30-25(20-5-3-2-4-6-20)23-24(29-30)26(34)32(17-28-23)16-27(35)11-13-31(14-12-27)22(33)15-21(18-7-8-18)19-9-10-19/h2-6,17-19,21,35H,7-16H2,1H3
InChIKeyLMIOGDRAIURVCW-UHFFFAOYSA-N
XLogP2.98
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(3,3-dicyclopropylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 6-[[1-(3,3-dicyclopropylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one (CID 134451486) is 6-[[1-(3,3-dicyclopropylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[[1-(3,3-dicyclopropylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[[1-(3,3-dicyclopropylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one is Cn1nc2c(=O)n(CC3(O)CCN(C(=O)CC(C4CC4)C4CC4)CC3)cnc2c1-c1ccccc1.
What is the InChIKey of 6-[[1-(3,3-dicyclopropylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is LMIOGDRAIURVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-30-25(20-5-3-2-4-6-20)23-24(29-30)26(34)32(17-28-23)16-27(35)11-13-31(14-12-27)22(33)15-21(18-7-8-18)19-9-10-19/h2-6,17-19,21,35H,7-16H2,1H3.
What are the key properties of 6-[[1-(3,3-dicyclopropylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one?
6-[[1-(3,3-dicyclopropylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 475.59 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(3,3-dicyclopropylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-2-methyl-3-phenylpyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 134451486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).