2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone

C73H69F6N19O8S — CID 157405695

About 2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone

2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone (PubChem CID 157405695) has the molecular formula C73H69F6N19O8S and a molecular weight of 1486.53 g/mol. Its IUPAC name is 2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone.

Molecular Properties

• Compound Name: 2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone
• PubChem CID: 157405695
• Molecular Formula: C73H69F6N19O8S
• Molecular Weight: 1486.53 g/mol
• Exact Mass: 1485.52
• IUPAC Name: 2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone
• SMILES: Cc1nc(N2CCN(C(=O)Cn3nc(-c4ccc(OC(F)F)cn4)cc3-c3ccccc3)CC2)no1.Cc1nc2c(s1)CCN(C(=O)Cn1nc(-c3ccc(OC(F)F)cn3)cc1-c1ccccc1)CC2.Cc1nnc(N2CCN(C(=O)Cn3nc(-c4ccc(OC(F)F)cn4)cc3-c3ccccc3)CC2)o1
• InChI: InChI=1S/C25H23F2N5O2S.2C24H23F2N7O3/c1-16-29-20-9-11-31(12-10-23(20)35-16)24(33)15-32-22(17-5-3-2-4-6-17)13-21(30-32)19-8-7-18(14-28-19)34-25(26)27;1-16-28-29-24(35-16)32-11-9-31(10-12-32)22(34)15-33-21(17-5-3-2-4-6-17)13-20(30-33)19-8-7-18(14-27-19)36-23(25)26;1-16-28-24(30-36-16)32-11-9-31(10-12-32)22(34)15-33-21(17-5-3-2-4-6-17)13-20(29-33)19-8-7-18(14-27-19)35-23(25)26/h2-8,13-14,25H,9-12,15H2,1H3;2*2-8,13-14,23H,9-12,15H2,1H3
• InChIKey: BNROXKBIIQUBDK-UHFFFAOYSA-N
• XLogP: 11.11
• TPSA: 277.96 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1486.53
LogP ≤ 5	11.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone?

The IUPAC name of 2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone (CID 157405695) is 2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone.

What is the SMILES notation for 2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone?

The canonical SMILES for 2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone is Cc1nc(N2CCN(C(=O)Cn3nc(-c4ccc(OC(F)F)cn4)cc3-c3ccccc3)CC2)no1.Cc1nc2c(s1)CCN(C(=O)Cn1nc(-c3ccc(OC(F)F)cn3)cc1-c1ccccc1)CC2.Cc1nnc(N2CCN(C(=O)Cn3nc(-c4ccc(OC(F)F)cn4)cc3-c3ccccc3)CC2)o1.

What is the InChIKey of 2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone?

The InChIKey is BNROXKBIIQUBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O2S.2C24H23F2N7O3/c1-16-29-20-9-11-31(12-10-23(20)35-16)24(33)15-32-22(17-5-3-2-4-6-17)13-21(30-32)19-8-7-18(14-28-19)34-25(26)27;1-16-28-29-24(35-16)32-11-9-31(10-12-32)22(34)15-33-21(17-5-3-2-4-6-17)13-20(30-33)19-8-7-18(14-27-19)36-23(25)26;1-16-28-24(30-36-16)32-11-9-31(10-12-32)22(34)15-33-21(17-5-3-2-4-6-17)13-20(29-33)19-8-7-18(14-27-19)35-23(25)26/h2-8,13-14,25H,9-12,15H2,1H3;2*2-8,13-14,23H,9-12,15H2,1H3.

What are the key properties of 2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone?

2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone has a molecular weight of 1486.53 g/mol, XLogP of 11.11, 20 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone is sourced from PubChem (CID 157405695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).