2-[(6-chloroquinolin-4-yl)methyl]-5-methyl-7-(2-methylpropyl)-3-(1-methylpyrrol-2-yl)pyrazolo[3,4-d]pyrimidine-4,6-dione

C25H25ClN6O2 — CID 58981175

IUPAC2-[(6-chloroquinolin-4-yl)methyl]-5-methyl-7-(2-methylpropyl)-3-(1-methylpyrrol-2-yl)pyrazolo[3,4-d]pyrimidine-4,6-dione
SMILESCC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cccn3C)n(Cc3ccnc4ccc(Cl)cc34)nc21
InChIInChI=1S/C25H25ClN6O2/c1-15(2)13-31-23-21(24(33)30(4)25(31)34)22(20-6-5-11-29(20)3)32(28-23)14-16-9-10-27-19-8-7-17(26)12-18(16)19/h5-12,15H,13-14H2,1-4H3
InChIKeyXYGGSEPNMJOMER-UHFFFAOYSA-N
MW476.97 g/mol
LogP3.81
Rot. Bonds5

About 2-[(6-chloroquinolin-4-yl)methyl]-5-methyl-7-(2-methylpropyl)-3-(1-methylpyrrol-2-yl)pyrazolo[3,4-d]pyrimidine-4,6-dione

2-[(6-chloroquinolin-4-yl)methyl]-5-methyl-7-(2-methylpropyl)-3-(1-methylpyrrol-2-yl)pyrazolo[3,4-d]pyrimidine-4,6-dione (PubChem CID 58981175) has the molecular formula C25H25ClN6O2 and a molecular weight of 476.97 g/mol. Its IUPAC name is 2-[(6-chloroquinolin-4-yl)methyl]-5-methyl-7-(2-methylpropyl)-3-(1-methylpyrrol-2-yl)pyrazolo[3,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-[(6-chloroquinolin-4-yl)methyl]-5-methyl-7-(2-methylpropyl)-3-(1-methylpyrrol-2-yl)pyrazolo[3,4-d]pyrimidine-4,6-dione
PubChem CID58981175
Molecular FormulaC25H25ClN6O2
Molecular Weight476.97 g/mol
Exact Mass476.17
IUPAC Name2-[(6-chloroquinolin-4-yl)methyl]-5-methyl-7-(2-methylpropyl)-3-(1-methylpyrrol-2-yl)pyrazolo[3,4-d]pyrimidine-4,6-dione
SMILESCC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cccn3C)n(Cc3ccnc4ccc(Cl)cc34)nc21
InChIInChI=1S/C25H25ClN6O2/c1-15(2)13-31-23-21(24(33)30(4)25(31)34)22(20-6-5-11-29(20)3)32(28-23)14-16-9-10-27-19-8-7-17(26)12-18(16)19/h5-12,15H,13-14H2,1-4H3
InChIKeyXYGGSEPNMJOMER-UHFFFAOYSA-N
XLogP3.81
TPSA79.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.97
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[(6-chloroquinolin-4-yl)methyl]-5-methyl-7-(2-methylpropyl)-3-(1-methylpyrrol-2-yl)pyrazolo[3,4-d]pyrimidine-4,6-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 2-[(6-chloroquinolin-4-yl)methyl]-5-methyl-7-(2-methylpropyl)-3-(1-methylpyrrol-2-yl)pyrazolo[3,4-d]pyrimidine-4,6-dione?
The IUPAC name of 2-[(6-chloroquinolin-4-yl)methyl]-5-methyl-7-(2-methylpropyl)-3-(1-methylpyrrol-2-yl)pyrazolo[3,4-d]pyrimidine-4,6-dione (CID 58981175) is 2-[(6-chloroquinolin-4-yl)methyl]-5-methyl-7-(2-methylpropyl)-3-(1-methylpyrrol-2-yl)pyrazolo[3,4-d]pyrimidine-4,6-dione.
What is the SMILES notation for 2-[(6-chloroquinolin-4-yl)methyl]-5-methyl-7-(2-methylpropyl)-3-(1-methylpyrrol-2-yl)pyrazolo[3,4-d]pyrimidine-4,6-dione?
The canonical SMILES for 2-[(6-chloroquinolin-4-yl)methyl]-5-methyl-7-(2-methylpropyl)-3-(1-methylpyrrol-2-yl)pyrazolo[3,4-d]pyrimidine-4,6-dione is CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cccn3C)n(Cc3ccnc4ccc(Cl)cc34)nc21.
What is the InChIKey of 2-[(6-chloroquinolin-4-yl)methyl]-5-methyl-7-(2-methylpropyl)-3-(1-methylpyrrol-2-yl)pyrazolo[3,4-d]pyrimidine-4,6-dione?
The InChIKey is XYGGSEPNMJOMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O2/c1-15(2)13-31-23-21(24(33)30(4)25(31)34)22(20-6-5-11-29(20)3)32(28-23)14-16-9-10-27-19-8-7-17(26)12-18(16)19/h5-12,15H,13-14H2,1-4H3.
What are the key properties of 2-[(6-chloroquinolin-4-yl)methyl]-5-methyl-7-(2-methylpropyl)-3-(1-methylpyrrol-2-yl)pyrazolo[3,4-d]pyrimidine-4,6-dione?
2-[(6-chloroquinolin-4-yl)methyl]-5-methyl-7-(2-methylpropyl)-3-(1-methylpyrrol-2-yl)pyrazolo[3,4-d]pyrimidine-4,6-dione has a molecular weight of 476.97 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloroquinolin-4-yl)methyl]-5-methyl-7-(2-methylpropyl)-3-(1-methylpyrrol-2-yl)pyrazolo[3,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 58981175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).