[1-[[5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methyloxidanium

C20H29N6O3S+ — CID 143791720

About [1-[[5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methyloxidanium

[1-[[5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methyloxidanium (PubChem CID 143791720) has the molecular formula C20H29N6O3S+ and a molecular weight of 433.56 g/mol. Its IUPAC name is [1-[[5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methyloxidanium.

Molecular Properties

• Compound Name: [1-[[5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methyloxidanium
• PubChem CID: 143791720
• Molecular Formula: C20H29N6O3S+
• Molecular Weight: 433.56 g/mol
• Exact Mass: 433.20
• IUPAC Name: [1-[[5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methyloxidanium
• SMILES: CC(C)c1noc(C2CCN(c3nc4c(c(NC5(C[OH2+])CC5)n3)S(=O)CC4)CC2)n1
• InChI: InChI=1S/C20H28N6O3S/c1-12(2)16-22-18(29-25-16)13-3-8-26(9-4-13)19-21-14-5-10-30(28)15(14)17(23-19)24-20(11-27)6-7-20/h12-13,27H,3-11H2,1-2H3,(H,21,23,24)/p+1
• InChIKey: WRPRZTHCYPXKNX-UHFFFAOYSA-O
• XLogP: 1.70
• TPSA: 119.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.56
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-[[5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methyloxidanium?

The IUPAC name of [1-[[5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methyloxidanium (CID 143791720) is [1-[[5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methyloxidanium.

What is the SMILES notation for [1-[[5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methyloxidanium?

The canonical SMILES for [1-[[5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methyloxidanium is CC(C)c1noc(C2CCN(c3nc4c(c(NC5(C[OH2+])CC5)n3)S(=O)CC4)CC2)n1.

What is the InChIKey of [1-[[5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methyloxidanium?

The InChIKey is WRPRZTHCYPXKNX-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H28N6O3S/c1-12(2)16-22-18(29-25-16)13-3-8-26(9-4-13)19-21-14-5-10-30(28)15(14)17(23-19)24-20(11-27)6-7-20/h12-13,27H,3-11H2,1-2H3,(H,21,23,24)/p+1.

What are the key properties of [1-[[5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methyloxidanium?

[1-[[5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methyloxidanium has a molecular weight of 433.56 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methyloxidanium is sourced from PubChem (CID 143791720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).