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

C42H37BrF4N12O4 — CID 157295665

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

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 (PubChem CID 157295665) has the molecular formula C42H37BrF4N12O4 and a molecular weight of 929.73 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.

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
• PubChem CID: 157295665
• Molecular Formula: C42H37BrF4N12O4
• Molecular Weight: 929.73 g/mol
• Exact Mass: 928.22
• 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
• SMILES: 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/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
• InChIKey: BBHWYFGQMLBISB-UHFFFAOYSA-N
• XLogP: 7.07
• TPSA: 195.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	929.73
LogP ≤ 5	7.07
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?

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 (CID 157295665) 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.

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?

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 is 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?

The InChIKey is BBHWYFGQMLBISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N6O2.C14H12BrN5O2.C7H7F2N/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.

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?

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 has a molecular weight of 929.73 g/mol, XLogP of 7.07, 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 is sourced from PubChem (CID 157295665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).