7-(2-oxopropyl)-9-[1-(2-oxopropyl)piperidin-4-yl]-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one

C23H25N7O3 — CID 67123999

IUPAC7-(2-oxopropyl)-9-[1-(2-oxopropyl)piperidin-4-yl]-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one
SMILESCC(=O)CN1CCC(n2c(=O)n(CC(C)=O)c3cnc(-c4cnn5ccccc45)nc32)CC1
InChIInChI=1S/C23H25N7O3/c1-15(31)13-27-9-6-17(7-10-27)30-22-20(28(23(30)33)14-16(2)32)12-24-21(26-22)18-11-25-29-8-4-3-5-19(18)29/h3-5,8,11-12,17H,6-7,9-10,13-14H2,1-2H3
InChIKeyQRWUYELPGBCACX-UHFFFAOYSA-N
MW447.50 g/mol
LogP1.72
Rot. Bonds6

About 7-(2-oxopropyl)-9-[1-(2-oxopropyl)piperidin-4-yl]-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one

7-(2-oxopropyl)-9-[1-(2-oxopropyl)piperidin-4-yl]-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one (PubChem CID 67123999) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is 7-(2-oxopropyl)-9-[1-(2-oxopropyl)piperidin-4-yl]-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one.

Molecular Properties

Compound Name7-(2-oxopropyl)-9-[1-(2-oxopropyl)piperidin-4-yl]-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one
PubChem CID67123999
Molecular FormulaC23H25N7O3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC Name7-(2-oxopropyl)-9-[1-(2-oxopropyl)piperidin-4-yl]-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one
SMILESCC(=O)CN1CCC(n2c(=O)n(CC(C)=O)c3cnc(-c4cnn5ccccc45)nc32)CC1
InChIInChI=1S/C23H25N7O3/c1-15(31)13-27-9-6-17(7-10-27)30-22-20(28(23(30)33)14-16(2)32)12-24-21(26-22)18-11-25-29-8-4-3-5-19(18)29/h3-5,8,11-12,17H,6-7,9-10,13-14H2,1-2H3
InChIKeyQRWUYELPGBCACX-UHFFFAOYSA-N
XLogP1.72
TPSA107.39 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 7-(2-oxopropyl)-9-[1-(2-oxopropyl)piperidin-4-yl]-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one?
The IUPAC name of 7-(2-oxopropyl)-9-[1-(2-oxopropyl)piperidin-4-yl]-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one (CID 67123999) is 7-(2-oxopropyl)-9-[1-(2-oxopropyl)piperidin-4-yl]-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one.
What is the SMILES notation for 7-(2-oxopropyl)-9-[1-(2-oxopropyl)piperidin-4-yl]-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one?
The canonical SMILES for 7-(2-oxopropyl)-9-[1-(2-oxopropyl)piperidin-4-yl]-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one is CC(=O)CN1CCC(n2c(=O)n(CC(C)=O)c3cnc(-c4cnn5ccccc45)nc32)CC1.
What is the InChIKey of 7-(2-oxopropyl)-9-[1-(2-oxopropyl)piperidin-4-yl]-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one?
The InChIKey is QRWUYELPGBCACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-15(31)13-27-9-6-17(7-10-27)30-22-20(28(23(30)33)14-16(2)32)12-24-21(26-22)18-11-25-29-8-4-3-5-19(18)29/h3-5,8,11-12,17H,6-7,9-10,13-14H2,1-2H3.
What are the key properties of 7-(2-oxopropyl)-9-[1-(2-oxopropyl)piperidin-4-yl]-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one?
7-(2-oxopropyl)-9-[1-(2-oxopropyl)piperidin-4-yl]-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one has a molecular weight of 447.50 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-oxopropyl)-9-[1-(2-oxopropyl)piperidin-4-yl]-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one is sourced from PubChem (CID 67123999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).