1-(3-methyl-4-morpholin-4-ylphenyl)-3-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]urea

C25H26N6O2 — CID 132585195

IUPAC1-(3-methyl-4-morpholin-4-ylphenyl)-3-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]urea
SMILESCc1cc(NC(=O)Nc2ccc(-c3ccnc4n[nH]c(C)c34)cc2)ccc1N1CCOCC1
InChIInChI=1S/C25H26N6O2/c1-16-15-20(7-8-22(16)31-11-13-33-14-12-31)28-25(32)27-19-5-3-18(4-6-19)21-9-10-26-24-23(21)17(2)29-30-24/h3-10,15H,11-14H2,1-2H3,(H,26,29,30)(H2,27,28,32)
InChIKeyJJRJKCCMGSERLB-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.72
Rot. Bonds4

About 1-(3-methyl-4-morpholin-4-ylphenyl)-3-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]urea

1-(3-methyl-4-morpholin-4-ylphenyl)-3-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]urea (PubChem CID 132585195) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 1-(3-methyl-4-morpholin-4-ylphenyl)-3-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3-methyl-4-morpholin-4-ylphenyl)-3-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]urea
PubChem CID132585195
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name1-(3-methyl-4-morpholin-4-ylphenyl)-3-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]urea
SMILESCc1cc(NC(=O)Nc2ccc(-c3ccnc4n[nH]c(C)c34)cc2)ccc1N1CCOCC1
InChIInChI=1S/C25H26N6O2/c1-16-15-20(7-8-22(16)31-11-13-33-14-12-31)28-25(32)27-19-5-3-18(4-6-19)21-9-10-26-24-23(21)17(2)29-30-24/h3-10,15H,11-14H2,1-2H3,(H,26,29,30)(H2,27,28,32)
InChIKeyJJRJKCCMGSERLB-UHFFFAOYSA-N
XLogP4.72
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-(3-methyl-4-morpholin-4-ylphenyl)-3-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]urea 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 1-(3-methyl-4-morpholin-4-ylphenyl)-3-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]urea?
The IUPAC name of 1-(3-methyl-4-morpholin-4-ylphenyl)-3-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]urea (CID 132585195) is 1-(3-methyl-4-morpholin-4-ylphenyl)-3-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]urea.
What is the SMILES notation for 1-(3-methyl-4-morpholin-4-ylphenyl)-3-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]urea?
The canonical SMILES for 1-(3-methyl-4-morpholin-4-ylphenyl)-3-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]urea is Cc1cc(NC(=O)Nc2ccc(-c3ccnc4n[nH]c(C)c34)cc2)ccc1N1CCOCC1.
What is the InChIKey of 1-(3-methyl-4-morpholin-4-ylphenyl)-3-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]urea?
The InChIKey is JJRJKCCMGSERLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-16-15-20(7-8-22(16)31-11-13-33-14-12-31)28-25(32)27-19-5-3-18(4-6-19)21-9-10-26-24-23(21)17(2)29-30-24/h3-10,15H,11-14H2,1-2H3,(H,26,29,30)(H2,27,28,32).
What are the key properties of 1-(3-methyl-4-morpholin-4-ylphenyl)-3-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]urea?
1-(3-methyl-4-morpholin-4-ylphenyl)-3-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]urea has a molecular weight of 442.52 g/mol, XLogP of 4.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-morpholin-4-ylphenyl)-3-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]urea is sourced from PubChem (CID 132585195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).