3-[6-chloro-3-[[(1R)-1-[2-[1-[1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]pyrazol-4-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethyl]amino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one

C30H30ClN7O6 — CID 170417282

About 3-[6-chloro-3-[[(1R)-1-[2-[1-[1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]pyrazol-4-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethyl]amino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one

3-[6-chloro-3-[[(1R)-1-[2-[1-[1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]pyrazol-4-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethyl]amino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 170417282) has the molecular formula C30H30ClN7O6 and a molecular weight of 620.07 g/mol. Its IUPAC name is 3-[6-chloro-3-[[(1R)-1-[2-[1-[1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]pyrazol-4-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethyl]amino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

• Compound Name: 3-[6-chloro-3-[[(1R)-1-[2-[1-[1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]pyrazol-4-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethyl]amino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
• PubChem CID: 170417282
• Molecular Formula: C30H30ClN7O6
• Molecular Weight: 620.07 g/mol
• Exact Mass: 619.19
• IUPAC Name: 3-[6-chloro-3-[[(1R)-1-[2-[1-[1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]pyrazol-4-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethyl]amino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
• SMILES: Cc1cc([C@@H](C)Nc2ccc(Cl)nc2-c2noc(=O)[nH]2)c2oc(-c3cnn(C4CN(C(=O)C(C)(C)O)C4)c3)c(C)c(=O)c2c1
• InChI: InChI=1S/C30H30ClN7O6/c1-14-8-19(16(3)33-21-6-7-22(31)34-23(21)27-35-29(41)44-36-27)26-20(9-14)24(39)15(2)25(43-26)17-10-32-38(11-17)18-12-37(13-18)28(40)30(4,5)42/h6-11,16,18,33,42H,12-13H2,1-5H3,(H,35,36,41)/t16-/m1/s1
• InChIKey: WSXVDICGKTWYFR-MRXNPFEDSA-N
• XLogP: 3.99
• TPSA: 172.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.07
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-3-[[(1R)-1-[2-[1-[1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]pyrazol-4-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethyl]amino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?

The IUPAC name of 3-[6-chloro-3-[[(1R)-1-[2-[1-[1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]pyrazol-4-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethyl]amino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one (CID 170417282) is 3-[6-chloro-3-[[(1R)-1-[2-[1-[1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]pyrazol-4-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethyl]amino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one.

What is the SMILES notation for 3-[6-chloro-3-[[(1R)-1-[2-[1-[1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]pyrazol-4-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethyl]amino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?

The canonical SMILES for 3-[6-chloro-3-[[(1R)-1-[2-[1-[1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]pyrazol-4-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethyl]amino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one is Cc1cc([C@@H](C)Nc2ccc(Cl)nc2-c2noc(=O)[nH]2)c2oc(-c3cnn(C4CN(C(=O)C(C)(C)O)C4)c3)c(C)c(=O)c2c1.

What is the InChIKey of 3-[6-chloro-3-[[(1R)-1-[2-[1-[1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]pyrazol-4-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethyl]amino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?

The InChIKey is WSXVDICGKTWYFR-MRXNPFEDSA-N. The full InChI is InChI=1S/C30H30ClN7O6/c1-14-8-19(16(3)33-21-6-7-22(31)34-23(21)27-35-29(41)44-36-27)26-20(9-14)24(39)15(2)25(43-26)17-10-32-38(11-17)18-12-37(13-18)28(40)30(4,5)42/h6-11,16,18,33,42H,12-13H2,1-5H3,(H,35,36,41)/t16-/m1/s1.

What are the key properties of 3-[6-chloro-3-[[(1R)-1-[2-[1-[1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]pyrazol-4-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethyl]amino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?

3-[6-chloro-3-[[(1R)-1-[2-[1-[1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]pyrazol-4-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethyl]amino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 620.07 g/mol, XLogP of 3.99, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-chloro-3-[[(1R)-1-[2-[1-[1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]pyrazol-4-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethyl]amino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 170417282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).