8-[(1R)-1-[[6-chloro-2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-pyrimidin-2-ylchromen-4-one

C24H21ClN6O4 — CID 169270075

About 8-[(1R)-1-[[6-chloro-2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-pyrimidin-2-ylchromen-4-one

8-[(1R)-1-[[6-chloro-2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-pyrimidin-2-ylchromen-4-one (PubChem CID 169270075) has the molecular formula C24H21ClN6O4 and a molecular weight of 492.92 g/mol. Its IUPAC name is 8-[(1R)-1-[[6-chloro-2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-pyrimidin-2-ylchromen-4-one.

Molecular Properties

• Compound Name: 8-[(1R)-1-[[6-chloro-2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-pyrimidin-2-ylchromen-4-one
• PubChem CID: 169270075
• Molecular Formula: C24H21ClN6O4
• Molecular Weight: 492.92 g/mol
• Exact Mass: 492.13
• IUPAC Name: 8-[(1R)-1-[[6-chloro-2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-pyrimidin-2-ylchromen-4-one
• SMILES: Cc1cc([C@@H](C)Nc2ccc(Cl)nc2C2=NC(O)ON2)c2oc(-c3ncccn3)c(C)c(=O)c2c1
• InChI: InChI=1S/C24H21ClN6O4/c1-11-9-14(13(3)28-16-5-6-17(25)29-18(16)22-30-24(33)35-31-22)21-15(10-11)19(32)12(2)20(34-21)23-26-7-4-8-27-23/h4-10,13,24,28,33H,1-3H3,(H,30,31)/t13-,24?/m1/s1
• InChIKey: WMPWEWMLRDRSKJ-SGZRZGDHSA-N
• XLogP: 3.65
• TPSA: 134.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.92
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[(1R)-1-[[6-chloro-2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-pyrimidin-2-ylchromen-4-one?

The IUPAC name of 8-[(1R)-1-[[6-chloro-2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-pyrimidin-2-ylchromen-4-one (CID 169270075) is 8-[(1R)-1-[[6-chloro-2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-pyrimidin-2-ylchromen-4-one.

What is the SMILES notation for 8-[(1R)-1-[[6-chloro-2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-pyrimidin-2-ylchromen-4-one?

The canonical SMILES for 8-[(1R)-1-[[6-chloro-2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-pyrimidin-2-ylchromen-4-one is Cc1cc([C@@H](C)Nc2ccc(Cl)nc2C2=NC(O)ON2)c2oc(-c3ncccn3)c(C)c(=O)c2c1.

What is the InChIKey of 8-[(1R)-1-[[6-chloro-2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-pyrimidin-2-ylchromen-4-one?

The InChIKey is WMPWEWMLRDRSKJ-SGZRZGDHSA-N. The full InChI is InChI=1S/C24H21ClN6O4/c1-11-9-14(13(3)28-16-5-6-17(25)29-18(16)22-30-24(33)35-31-22)21-15(10-11)19(32)12(2)20(34-21)23-26-7-4-8-27-23/h4-10,13,24,28,33H,1-3H3,(H,30,31)/t13-,24?/m1/s1.

What are the key properties of 8-[(1R)-1-[[6-chloro-2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-pyrimidin-2-ylchromen-4-one?

8-[(1R)-1-[[6-chloro-2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-pyrimidin-2-ylchromen-4-one has a molecular weight of 492.92 g/mol, XLogP of 3.65, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(1R)-1-[[6-chloro-2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-pyrimidin-2-ylchromen-4-one is sourced from PubChem (CID 169270075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).