5-[4-chloro-2-ethyl-5-[[4-(sulfinoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine

C24H34ClF2N5O4S — CID 157073021

About 5-[4-chloro-2-ethyl-5-[[4-(sulfinoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine

5-[4-chloro-2-ethyl-5-[[4-(sulfinoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine (PubChem CID 157073021) has the molecular formula C24H34ClF2N5O4S and a molecular weight of 562.08 g/mol. Its IUPAC name is 5-[4-chloro-2-ethyl-5-[[4-(sulfinoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine.

Molecular Properties

• Compound Name: 5-[4-chloro-2-ethyl-5-[[4-(sulfinoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine
• PubChem CID: 157073021
• Molecular Formula: C24H34ClF2N5O4S
• Molecular Weight: 562.08 g/mol
• Exact Mass: 561.20
• IUPAC Name: 5-[4-chloro-2-ethyl-5-[[4-(sulfinoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine
• SMILES: CCn1nc(C(=O)NCC2CCC(NS(=O)O)CC2)c(Cl)c1-c1cnc(CC(C)(C)C)cc1OC(F)F
• InChI: InChI=1S/C24H34ClF2N5O4S/c1-5-32-21(17-13-28-16(11-24(2,3)4)10-18(17)36-23(26)27)19(25)20(30-32)22(33)29-12-14-6-8-15(9-7-14)31-37(34)35/h10,13-15,23,31H,5-9,11-12H2,1-4H3,(H,29,33)(H,34,35)
• InChIKey: VSOGJSDJPIEXKR-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 118.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.08
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-2-ethyl-5-[[4-(sulfinoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine?

The IUPAC name of 5-[4-chloro-2-ethyl-5-[[4-(sulfinoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine (CID 157073021) is 5-[4-chloro-2-ethyl-5-[[4-(sulfinoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine.

What is the SMILES notation for 5-[4-chloro-2-ethyl-5-[[4-(sulfinoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine?

The canonical SMILES for 5-[4-chloro-2-ethyl-5-[[4-(sulfinoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine is CCn1nc(C(=O)NCC2CCC(NS(=O)O)CC2)c(Cl)c1-c1cnc(CC(C)(C)C)cc1OC(F)F.

What is the InChIKey of 5-[4-chloro-2-ethyl-5-[[4-(sulfinoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine?

The InChIKey is VSOGJSDJPIEXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClF2N5O4S/c1-5-32-21(17-13-28-16(11-24(2,3)4)10-18(17)36-23(26)27)19(25)20(30-32)22(33)29-12-14-6-8-15(9-7-14)31-37(34)35/h10,13-15,23,31H,5-9,11-12H2,1-4H3,(H,29,33)(H,34,35).

What are the key properties of 5-[4-chloro-2-ethyl-5-[[4-(sulfinoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine?

5-[4-chloro-2-ethyl-5-[[4-(sulfinoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine has a molecular weight of 562.08 g/mol, XLogP of 4.82, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-chloro-2-ethyl-5-[[4-(sulfinoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine is sourced from PubChem (CID 157073021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).