N-(4-chlorophenyl)-5-[(1,3-dimethyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,2,4-oxadiazole-3-carboxamide

C17H14ClN7O3 — CID 126752156

IUPACN-(4-chlorophenyl)-5-[(1,3-dimethyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nn(C)c2ncn(Cc3nc(C(=O)Nc4ccc(Cl)cc4)no3)c(=O)c12
InChIInChI=1S/C17H14ClN7O3/c1-9-13-15(24(2)22-9)19-8-25(17(13)27)7-12-21-14(23-28-12)16(26)20-11-5-3-10(18)4-6-11/h3-6,8H,7H2,1-2H3,(H,20,26)
InChIKeyGXZWVIZWXVCPDU-UHFFFAOYSA-N
MW399.80 g/mol
LogP1.78
Rot. Bonds4

About N-(4-chlorophenyl)-5-[(1,3-dimethyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,2,4-oxadiazole-3-carboxamide

N-(4-chlorophenyl)-5-[(1,3-dimethyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 126752156) has the molecular formula C17H14ClN7O3 and a molecular weight of 399.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-[(1,3-dimethyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-[(1,3-dimethyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID126752156
Molecular FormulaC17H14ClN7O3
Molecular Weight399.80 g/mol
Exact Mass399.08
IUPAC NameN-(4-chlorophenyl)-5-[(1,3-dimethyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nn(C)c2ncn(Cc3nc(C(=O)Nc4ccc(Cl)cc4)no3)c(=O)c12
InChIInChI=1S/C17H14ClN7O3/c1-9-13-15(24(2)22-9)19-8-25(17(13)27)7-12-21-14(23-28-12)16(26)20-11-5-3-10(18)4-6-11/h3-6,8H,7H2,1-2H3,(H,20,26)
InChIKeyGXZWVIZWXVCPDU-UHFFFAOYSA-N
XLogP1.78
TPSA120.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.80
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(4-chlorophenyl)-5-[(1,3-dimethyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,2,4-oxadiazole-3-carboxamide 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-(4-chlorophenyl)-5-[(1,3-dimethyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-[(1,3-dimethyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,2,4-oxadiazole-3-carboxamide (CID 126752156) is N-(4-chlorophenyl)-5-[(1,3-dimethyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-[(1,3-dimethyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-[(1,3-dimethyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,2,4-oxadiazole-3-carboxamide is Cc1nn(C)c2ncn(Cc3nc(C(=O)Nc4ccc(Cl)cc4)no3)c(=O)c12.
What is the InChIKey of N-(4-chlorophenyl)-5-[(1,3-dimethyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is GXZWVIZWXVCPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN7O3/c1-9-13-15(24(2)22-9)19-8-25(17(13)27)7-12-21-14(23-28-12)16(26)20-11-5-3-10(18)4-6-11/h3-6,8H,7H2,1-2H3,(H,20,26).
What are the key properties of N-(4-chlorophenyl)-5-[(1,3-dimethyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,2,4-oxadiazole-3-carboxamide?
N-(4-chlorophenyl)-5-[(1,3-dimethyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 399.80 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-[(1,3-dimethyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 126752156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).