N-methyl-4-[3-methyl-6-oxo-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-N-phenylbenzamide

C26H22N8O2 — CID 135634335

IUPACN-methyl-4-[3-methyl-6-oxo-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-N-phenylbenzamide
SMILESCc1nn(-c2ncnc3nc[nH]c23)c2c1C(c1ccc(C(=O)N(C)c3ccccc3)cc1)CC(=O)N2
InChIInChI=1S/C26H22N8O2/c1-15-21-19(16-8-10-17(11-9-16)26(36)33(2)18-6-4-3-5-7-18)12-20(35)31-24(21)34(32-15)25-22-23(28-13-27-22)29-14-30-25/h3-11,13-14,19H,12H2,1-2H3,(H,31,35)(H,27,28,29,30)
InChIKeyFUWCXUCFUJOIHV-UHFFFAOYSA-N
MW478.52 g/mol
LogP3.60
Rot. Bonds4

About N-methyl-4-[3-methyl-6-oxo-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-N-phenylbenzamide

N-methyl-4-[3-methyl-6-oxo-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-N-phenylbenzamide (PubChem CID 135634335) has the molecular formula C26H22N8O2 and a molecular weight of 478.52 g/mol. Its IUPAC name is N-methyl-4-[3-methyl-6-oxo-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-N-phenylbenzamide.

Molecular Properties

Compound NameN-methyl-4-[3-methyl-6-oxo-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-N-phenylbenzamide
PubChem CID135634335
Molecular FormulaC26H22N8O2
Molecular Weight478.52 g/mol
Exact Mass478.19
IUPAC NameN-methyl-4-[3-methyl-6-oxo-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-N-phenylbenzamide
SMILESCc1nn(-c2ncnc3nc[nH]c23)c2c1C(c1ccc(C(=O)N(C)c3ccccc3)cc1)CC(=O)N2
InChIInChI=1S/C26H22N8O2/c1-15-21-19(16-8-10-17(11-9-16)26(36)33(2)18-6-4-3-5-7-18)12-20(35)31-24(21)34(32-15)25-22-23(28-13-27-22)29-14-30-25/h3-11,13-14,19H,12H2,1-2H3,(H,31,35)(H,27,28,29,30)
InChIKeyFUWCXUCFUJOIHV-UHFFFAOYSA-N
XLogP3.60
TPSA121.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-methyl-4-[3-methyl-6-oxo-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-N-phenylbenzamide 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 N-methyl-4-[3-methyl-6-oxo-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-N-phenylbenzamide?
The IUPAC name of N-methyl-4-[3-methyl-6-oxo-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-N-phenylbenzamide (CID 135634335) is N-methyl-4-[3-methyl-6-oxo-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-N-phenylbenzamide.
What is the SMILES notation for N-methyl-4-[3-methyl-6-oxo-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-N-phenylbenzamide?
The canonical SMILES for N-methyl-4-[3-methyl-6-oxo-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-N-phenylbenzamide is Cc1nn(-c2ncnc3nc[nH]c23)c2c1C(c1ccc(C(=O)N(C)c3ccccc3)cc1)CC(=O)N2.
What is the InChIKey of N-methyl-4-[3-methyl-6-oxo-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-N-phenylbenzamide?
The InChIKey is FUWCXUCFUJOIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N8O2/c1-15-21-19(16-8-10-17(11-9-16)26(36)33(2)18-6-4-3-5-7-18)12-20(35)31-24(21)34(32-15)25-22-23(28-13-27-22)29-14-30-25/h3-11,13-14,19H,12H2,1-2H3,(H,31,35)(H,27,28,29,30).
What are the key properties of N-methyl-4-[3-methyl-6-oxo-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-N-phenylbenzamide?
N-methyl-4-[3-methyl-6-oxo-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-N-phenylbenzamide has a molecular weight of 478.52 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-methyl-6-oxo-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-N-phenylbenzamide is sourced from PubChem (CID 135634335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).