8-[1-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione

C26H31N7O3 — CID 69030489

IUPAC8-[1-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(C)cc5)C4)c3)nc2n(CCC)c1=O
InChIInChI=1S/C26H31N7O3/c1-4-10-31-24-22(25(35)32(11-5-2)26(31)36)28-23(29-24)19-13-27-30(16-19)14-18-12-21(34)33(15-18)20-8-6-17(3)7-9-20/h6-9,13,16,18H,4-5,10-12,14-15H2,1-3H3,(H,28,29)
InChIKeyGXBXMDRVXCNNIC-UHFFFAOYSA-N
MW489.58 g/mol
LogP2.93
Rot. Bonds8

About 8-[1-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione

8-[1-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione (PubChem CID 69030489) has the molecular formula C26H31N7O3 and a molecular weight of 489.58 g/mol. Its IUPAC name is 8-[1-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-[1-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione
PubChem CID69030489
Molecular FormulaC26H31N7O3
Molecular Weight489.58 g/mol
Exact Mass489.25
IUPAC Name8-[1-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(C)cc5)C4)c3)nc2n(CCC)c1=O
InChIInChI=1S/C26H31N7O3/c1-4-10-31-24-22(25(35)32(11-5-2)26(31)36)28-23(29-24)19-13-27-30(16-19)14-18-12-21(34)33(15-18)20-8-6-17(3)7-9-20/h6-9,13,16,18H,4-5,10-12,14-15H2,1-3H3,(H,28,29)
InChIKeyGXBXMDRVXCNNIC-UHFFFAOYSA-N
XLogP2.93
TPSA110.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-[1-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[1-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione?
The IUPAC name of 8-[1-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione (CID 69030489) is 8-[1-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-[1-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione?
The canonical SMILES for 8-[1-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione is CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(C)cc5)C4)c3)nc2n(CCC)c1=O.
What is the InChIKey of 8-[1-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione?
The InChIKey is GXBXMDRVXCNNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O3/c1-4-10-31-24-22(25(35)32(11-5-2)26(31)36)28-23(29-24)19-13-27-30(16-19)14-18-12-21(34)33(15-18)20-8-6-17(3)7-9-20/h6-9,13,16,18H,4-5,10-12,14-15H2,1-3H3,(H,28,29).
What are the key properties of 8-[1-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione?
8-[1-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione has a molecular weight of 489.58 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione is sourced from PubChem (CID 69030489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).