7-cyclopropyl-1-ethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride

C18H23ClN6O3 — CID 120865734

About 7-cyclopropyl-1-ethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride

7-cyclopropyl-1-ethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride (PubChem CID 120865734) has the molecular formula C18H23ClN6O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is 7-cyclopropyl-1-ethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

• Compound Name: 7-cyclopropyl-1-ethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
• PubChem CID: 120865734
• Molecular Formula: C18H23ClN6O3
• Molecular Weight: 406.87 g/mol
• Exact Mass: 406.15
• IUPAC Name: 7-cyclopropyl-1-ethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
• SMILES: CCn1c(=O)[nH]c(=O)c2c(-c3nc(CC(C)NC)no3)cc(C3CC3)nc21.Cl
• InChI: InChI=1S/C18H22N6O3.ClH/c1-4-24-15-14(16(25)22-18(24)26)11(8-12(20-15)10-5-6-10)17-21-13(23-27-17)7-9(2)19-3;/h8-10,19H,4-7H2,1-3H3,(H,22,25,26);1H
• InChIKey: SCQZEKCKJBAKQI-UHFFFAOYSA-N
• XLogP: 1.60
• TPSA: 118.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.87
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-1-ethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride?

The IUPAC name of 7-cyclopropyl-1-ethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride (CID 120865734) is 7-cyclopropyl-1-ethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride.

What is the SMILES notation for 7-cyclopropyl-1-ethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride?

The canonical SMILES for 7-cyclopropyl-1-ethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride is CCn1c(=O)[nH]c(=O)c2c(-c3nc(CC(C)NC)no3)cc(C3CC3)nc21.Cl.

What is the InChIKey of 7-cyclopropyl-1-ethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride?

The InChIKey is SCQZEKCKJBAKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3.ClH/c1-4-24-15-14(16(25)22-18(24)26)11(8-12(20-15)10-5-6-10)17-21-13(23-27-17)7-9(2)19-3;/h8-10,19H,4-7H2,1-3H3,(H,22,25,26);1H.

What are the key properties of 7-cyclopropyl-1-ethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride?

7-cyclopropyl-1-ethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride has a molecular weight of 406.87 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclopropyl-1-ethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 120865734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).