N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C25H27ClN6O2 — CID 16560843

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 16560843) has the molecular formula C25H27ClN6O2 and a molecular weight of 478.98 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 16560843
• Molecular Formula: C25H27ClN6O2
• Molecular Weight: 478.98 g/mol
• Exact Mass: 478.19
• IUPAC Name: N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC(C)c1cc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)c2cnn(C(C)C)c2n1
• InChI: InChI=1S/C25H27ClN6O2/c1-14(2)21-11-18(19-12-27-32(15(3)4)23(19)28-21)25(33)31(16-9-10-16)13-22-29-30-24(34-22)17-7-5-6-8-20(17)26/h5-8,11-12,14-16H,9-10,13H2,1-4H3
• InChIKey: XNIBZNFYGMBHEP-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 89.94 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.98
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 16560843) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)c1cc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)c2cnn(C(C)C)c2n1.

What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is XNIBZNFYGMBHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN6O2/c1-14(2)21-11-18(19-12-27-32(15(3)4)23(19)28-21)25(33)31(16-9-10-16)13-22-29-30-24(34-22)17-7-5-6-8-20(17)26/h5-8,11-12,14-16H,9-10,13H2,1-4H3.

What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 478.98 g/mol, XLogP of 5.64, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 16560843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).