2-chloro-4,4-difluoro-1'-[[3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazol-4-yl]methyl]spiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine]

C24H25ClF2N6O2S — CID 67169870

About 2-chloro-4,4-difluoro-1'-[[3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazol-4-yl]methyl]spiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine]

2-chloro-4,4-difluoro-1'-[[3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazol-4-yl]methyl]spiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 67169870) has the molecular formula C24H25ClF2N6O2S and a molecular weight of 535.02 g/mol. Its IUPAC name is 2-chloro-4,4-difluoro-1'-[[3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazol-4-yl]methyl]spiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

• Compound Name: 2-chloro-4,4-difluoro-1'-[[3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazol-4-yl]methyl]spiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine]
• PubChem CID: 67169870
• Molecular Formula: C24H25ClF2N6O2S
• Molecular Weight: 535.02 g/mol
• Exact Mass: 534.14
• IUPAC Name: 2-chloro-4,4-difluoro-1'-[[3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazol-4-yl]methyl]spiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine]
• SMILES: Cc1noc(-c2cccnc2-n2cc(CN3CCC4(CC3)OCC(F)(F)C3C=C(Cl)SC34)c(C)n2)n1
• InChI: InChI=1S/C24H25ClF2N6O2S/c1-14-16(12-33(30-14)21-17(4-3-7-28-21)22-29-15(2)31-35-22)11-32-8-5-23(6-9-32)20-18(10-19(25)36-20)24(26,27)13-34-23/h3-4,7,10,12,18,20H,5-6,8-9,11,13H2,1-2H3
• InChIKey: WHDOZUNIBNGUEU-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 82.10 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.02
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,4-difluoro-1'-[[3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazol-4-yl]methyl]spiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine]?

The IUPAC name of 2-chloro-4,4-difluoro-1'-[[3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazol-4-yl]methyl]spiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine] (CID 67169870) is 2-chloro-4,4-difluoro-1'-[[3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazol-4-yl]methyl]spiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine].

What is the SMILES notation for 2-chloro-4,4-difluoro-1'-[[3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazol-4-yl]methyl]spiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine]?

The canonical SMILES for 2-chloro-4,4-difluoro-1'-[[3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazol-4-yl]methyl]spiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine] is Cc1noc(-c2cccnc2-n2cc(CN3CCC4(CC3)OCC(F)(F)C3C=C(Cl)SC34)c(C)n2)n1.

What is the InChIKey of 2-chloro-4,4-difluoro-1'-[[3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazol-4-yl]methyl]spiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine]?

The InChIKey is WHDOZUNIBNGUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF2N6O2S/c1-14-16(12-33(30-14)21-17(4-3-7-28-21)22-29-15(2)31-35-22)11-32-8-5-23(6-9-32)20-18(10-19(25)36-20)24(26,27)13-34-23/h3-4,7,10,12,18,20H,5-6,8-9,11,13H2,1-2H3.

What are the key properties of 2-chloro-4,4-difluoro-1'-[[3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazol-4-yl]methyl]spiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine]?

2-chloro-4,4-difluoro-1'-[[3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazol-4-yl]methyl]spiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 535.02 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4,4-difluoro-1'-[[3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazol-4-yl]methyl]spiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 67169870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).