5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;5-[3-cyclopropyl-1-[5-[(2,6-difluorophenyl)methylamino]-2-pyridinyl]pyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(2,6-difluorophenyl)methanamine;methane

C43H41BrF4N12O4 — CID 157205311

About 5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;5-[3-cyclopropyl-1-[5-[(2,6-difluorophenyl)methylamino]-2-pyridinyl]pyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(2,6-difluorophenyl)methanamine;methane

5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;5-[3-cyclopropyl-1-[5-[(2,6-difluorophenyl)methylamino]-2-pyridinyl]pyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(2,6-difluorophenyl)methanamine;methane (PubChem CID 157205311) has the molecular formula C43H41BrF4N12O4 and a molecular weight of 945.78 g/mol. Its IUPAC name is 5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;5-[3-cyclopropyl-1-[5-[(2,6-difluorophenyl)methylamino]-2-pyridinyl]pyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(2,6-difluorophenyl)methanamine;methane.

Molecular Properties

• Compound Name: 5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;5-[3-cyclopropyl-1-[5-[(2,6-difluorophenyl)methylamino]-2-pyridinyl]pyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(2,6-difluorophenyl)methanamine;methane
• PubChem CID: 157205311
• Molecular Formula: C43H41BrF4N12O4
• Molecular Weight: 945.78 g/mol
• Exact Mass: 944.25
• IUPAC Name: 5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;5-[3-cyclopropyl-1-[5-[(2,6-difluorophenyl)methylamino]-2-pyridinyl]pyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(2,6-difluorophenyl)methanamine;methane
• SMILES: C.Cn1nc(-c2cc(C3CC3)nn2-c2ccc(Br)cn2)oc1=O.Cn1nc(-c2cc(C3CC3)nn2-c2ccc(NCc3c(F)cccc3F)cn2)oc1=O.NCc1c(F)cccc1F
• InChI: InChI=1S/C21H18F2N6O2.C14H12BrN5O2.C7H7F2N.CH4/c1-28-21(30)31-20(27-28)18-9-17(12-5-6-12)26-29(18)19-8-7-13(10-25-19)24-11-14-15(22)3-2-4-16(14)23;1-19-14(21)22-13(18-19)11-6-10(8-2-3-8)17-20(11)12-5-4-9(15)7-16-12;8-6-2-1-3-7(9)5(6)4-10;/h2-4,7-10,12,24H,5-6,11H2,1H3;4-8H,2-3H2,1H3;1-3H,4,10H2;1H4
• InChIKey: ARGYTFKWNZMYEK-UHFFFAOYSA-N
• XLogP: 7.71
• TPSA: 195.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	945.78
LogP ≤ 5	7.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;5-[3-cyclopropyl-1-[5-[(2,6-difluorophenyl)methylamino]-2-pyridinyl]pyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(2,6-difluorophenyl)methanamine;methane?

The IUPAC name of 5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;5-[3-cyclopropyl-1-[5-[(2,6-difluorophenyl)methylamino]-2-pyridinyl]pyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(2,6-difluorophenyl)methanamine;methane (CID 157205311) is 5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;5-[3-cyclopropyl-1-[5-[(2,6-difluorophenyl)methylamino]-2-pyridinyl]pyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(2,6-difluorophenyl)methanamine;methane.

What is the SMILES notation for 5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;5-[3-cyclopropyl-1-[5-[(2,6-difluorophenyl)methylamino]-2-pyridinyl]pyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(2,6-difluorophenyl)methanamine;methane?

The canonical SMILES for 5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;5-[3-cyclopropyl-1-[5-[(2,6-difluorophenyl)methylamino]-2-pyridinyl]pyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(2,6-difluorophenyl)methanamine;methane is C.Cn1nc(-c2cc(C3CC3)nn2-c2ccc(Br)cn2)oc1=O.Cn1nc(-c2cc(C3CC3)nn2-c2ccc(NCc3c(F)cccc3F)cn2)oc1=O.NCc1c(F)cccc1F.

What is the InChIKey of 5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;5-[3-cyclopropyl-1-[5-[(2,6-difluorophenyl)methylamino]-2-pyridinyl]pyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(2,6-difluorophenyl)methanamine;methane?

The InChIKey is ARGYTFKWNZMYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N6O2.C14H12BrN5O2.C7H7F2N.CH4/c1-28-21(30)31-20(27-28)18-9-17(12-5-6-12)26-29(18)19-8-7-13(10-25-19)24-11-14-15(22)3-2-4-16(14)23;1-19-14(21)22-13(18-19)11-6-10(8-2-3-8)17-20(11)12-5-4-9(15)7-16-12;8-6-2-1-3-7(9)5(6)4-10;/h2-4,7-10,12,24H,5-6,11H2,1H3;4-8H,2-3H2,1H3;1-3H,4,10H2;1H4.

What are the key properties of 5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;5-[3-cyclopropyl-1-[5-[(2,6-difluorophenyl)methylamino]-2-pyridinyl]pyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(2,6-difluorophenyl)methanamine;methane?

5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;5-[3-cyclopropyl-1-[5-[(2,6-difluorophenyl)methylamino]-2-pyridinyl]pyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(2,6-difluorophenyl)methanamine;methane has a molecular weight of 945.78 g/mol, XLogP of 7.71, 10 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;5-[3-cyclopropyl-1-[5-[(2,6-difluorophenyl)methylamino]-2-pyridinyl]pyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(2,6-difluorophenyl)methanamine;methane is sourced from PubChem (CID 157205311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).