4-(5-chlorothiophen-2-yl)-6-[[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxo-2λ6-thia-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]pyridin-3-ol

C24H26ClFN4O3S2 — CID 66930501

About 4-(5-chlorothiophen-2-yl)-6-[[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxo-2λ6-thia-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]pyridin-3-ol

4-(5-chlorothiophen-2-yl)-6-[[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxo-2λ6-thia-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]pyridin-3-ol (PubChem CID 66930501) has the molecular formula C24H26ClFN4O3S2 and a molecular weight of 537.08 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-6-[[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxo-2λ6-thia-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]pyridin-3-ol.

Molecular Properties

• Compound Name: 4-(5-chlorothiophen-2-yl)-6-[[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxo-2λ6-thia-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]pyridin-3-ol
• PubChem CID: 66930501
• Molecular Formula: C24H26ClFN4O3S2
• Molecular Weight: 537.08 g/mol
• Exact Mass: 536.11
• IUPAC Name: 4-(5-chlorothiophen-2-yl)-6-[[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxo-2λ6-thia-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]pyridin-3-ol
• SMILES: C[C@H]1C[C@]2(CCN1Cc1cc(-c3ccc(Cl)s3)c(O)cn1)CN(C)S(=O)(=O)N2c1cccc(F)c1
• InChI: InChI=1S/C24H26ClFN4O3S2/c1-16-12-24(15-28(2)35(32,33)30(24)19-5-3-4-17(26)10-19)8-9-29(16)14-18-11-20(21(31)13-27-18)22-6-7-23(25)34-22/h3-7,10-11,13,16,31H,8-9,12,14-15H2,1-2H3/t16-,24+/m0/s1
• InChIKey: OFLZAVKYXKUOTN-UPCLLVRISA-N
• XLogP: 4.73
• TPSA: 76.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.08
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-6-[[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxo-2λ6-thia-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]pyridin-3-ol?

The IUPAC name of 4-(5-chlorothiophen-2-yl)-6-[[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxo-2λ6-thia-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]pyridin-3-ol (CID 66930501) is 4-(5-chlorothiophen-2-yl)-6-[[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxo-2λ6-thia-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]pyridin-3-ol.

What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-6-[[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxo-2λ6-thia-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]pyridin-3-ol?

The canonical SMILES for 4-(5-chlorothiophen-2-yl)-6-[[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxo-2λ6-thia-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]pyridin-3-ol is C[C@H]1C[C@]2(CCN1Cc1cc(-c3ccc(Cl)s3)c(O)cn1)CN(C)S(=O)(=O)N2c1cccc(F)c1.

What is the InChIKey of 4-(5-chlorothiophen-2-yl)-6-[[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxo-2λ6-thia-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]pyridin-3-ol?

The InChIKey is OFLZAVKYXKUOTN-UPCLLVRISA-N. The full InChI is InChI=1S/C24H26ClFN4O3S2/c1-16-12-24(15-28(2)35(32,33)30(24)19-5-3-4-17(26)10-19)8-9-29(16)14-18-11-20(21(31)13-27-18)22-6-7-23(25)34-22/h3-7,10-11,13,16,31H,8-9,12,14-15H2,1-2H3/t16-,24+/m0/s1.

What are the key properties of 4-(5-chlorothiophen-2-yl)-6-[[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxo-2λ6-thia-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]pyridin-3-ol?

4-(5-chlorothiophen-2-yl)-6-[[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxo-2λ6-thia-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]pyridin-3-ol has a molecular weight of 537.08 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-chlorothiophen-2-yl)-6-[[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxo-2λ6-thia-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]pyridin-3-ol is sourced from PubChem (CID 66930501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).