sodium;(3R,5R)-7-[2-(4-fluorophenyl)-4-propan-2-yl-5-[[6-(trifluoromethyl)piperidin-3-yl]methylcarbamoyl]pyrazol-3-yl]-3,5-dihydroxyheptanoic acid;hydride

C27H37F4N4NaO5 — CID 173112209

IUPACsodium;(3R,5R)-7-[2-(4-fluorophenyl)-4-propan-2-yl-5-[[6-(trifluoromethyl)piperidin-3-yl]methylcarbamoyl]pyrazol-3-yl]-3,5-dihydroxyheptanoic acid;hydride
SMILESCC(C)c1c(C(=O)NCC2CCC(C(F)(F)F)NC2)nn(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)O.[H-].[Na+]
InChIInChI=1S/C27H36F4N4O5.Na.H/c1-15(2)24-21(9-8-19(36)11-20(37)12-23(38)39)35(18-6-4-17(28)5-7-18)34-25(24)26(40)33-14-16-3-10-22(32-13-16)27(29,30)31;;/h4-7,15-16,19-20,22,32,36-37H,3,8-14H2,1-2H3,(H,33,40)(H,38,39);;/q;+1;-1/t16?,19-,20-,22?;;/m1../s1
InChIKeyTZILXSKJKJLBRG-ZCAILQDESA-N
MW596.60 g/mol
LogP0.43
Rot. Bonds12

About sodium;(3R,5R)-7-[2-(4-fluorophenyl)-4-propan-2-yl-5-[[6-(trifluoromethyl)piperidin-3-yl]methylcarbamoyl]pyrazol-3-yl]-3,5-dihydroxyheptanoic acid;hydride

sodium;(3R,5R)-7-[2-(4-fluorophenyl)-4-propan-2-yl-5-[[6-(trifluoromethyl)piperidin-3-yl]methylcarbamoyl]pyrazol-3-yl]-3,5-dihydroxyheptanoic acid;hydride (PubChem CID 173112209) has the molecular formula C27H37F4N4NaO5 and a molecular weight of 596.60 g/mol. Its IUPAC name is sodium;(3R,5R)-7-[2-(4-fluorophenyl)-4-propan-2-yl-5-[[6-(trifluoromethyl)piperidin-3-yl]methylcarbamoyl]pyrazol-3-yl]-3,5-dihydroxyheptanoic acid;hydride.

Molecular Properties

Compound Namesodium;(3R,5R)-7-[2-(4-fluorophenyl)-4-propan-2-yl-5-[[6-(trifluoromethyl)piperidin-3-yl]methylcarbamoyl]pyrazol-3-yl]-3,5-dihydroxyheptanoic acid;hydride
PubChem CID173112209
Molecular FormulaC27H37F4N4NaO5
Molecular Weight596.60 g/mol
Exact Mass596.26
IUPAC Namesodium;(3R,5R)-7-[2-(4-fluorophenyl)-4-propan-2-yl-5-[[6-(trifluoromethyl)piperidin-3-yl]methylcarbamoyl]pyrazol-3-yl]-3,5-dihydroxyheptanoic acid;hydride
SMILESCC(C)c1c(C(=O)NCC2CCC(C(F)(F)F)NC2)nn(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)O.[H-].[Na+]
InChIInChI=1S/C27H36F4N4O5.Na.H/c1-15(2)24-21(9-8-19(36)11-20(37)12-23(38)39)35(18-6-4-17(28)5-7-18)34-25(24)26(40)33-14-16-3-10-22(32-13-16)27(29,30)31;;/h4-7,15-16,19-20,22,32,36-37H,3,8-14H2,1-2H3,(H,33,40)(H,38,39);;/q;+1;-1/t16?,19-,20-,22?;;/m1../s1
InChIKeyTZILXSKJKJLBRG-ZCAILQDESA-N
XLogP0.43
TPSA136.71 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.60
LogP ≤ 50.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze sodium;(3R,5R)-7-[2-(4-fluorophenyl)-4-propan-2-yl-5-[[6-(trifluoromethyl)piperidin-3-yl]methylcarbamoyl]pyrazol-3-yl]-3,5-dihydroxyheptanoic acid;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium;(3R,5R)-7-[2-(4-fluorophenyl)-4-propan-2-yl-5-[[6-(trifluoromethyl)piperidin-3-yl]methylcarbamoyl]pyrazol-3-yl]-3,5-dihydroxyheptanoic acid;hydride?
The IUPAC name of sodium;(3R,5R)-7-[2-(4-fluorophenyl)-4-propan-2-yl-5-[[6-(trifluoromethyl)piperidin-3-yl]methylcarbamoyl]pyrazol-3-yl]-3,5-dihydroxyheptanoic acid;hydride (CID 173112209) is sodium;(3R,5R)-7-[2-(4-fluorophenyl)-4-propan-2-yl-5-[[6-(trifluoromethyl)piperidin-3-yl]methylcarbamoyl]pyrazol-3-yl]-3,5-dihydroxyheptanoic acid;hydride.
What is the SMILES notation for sodium;(3R,5R)-7-[2-(4-fluorophenyl)-4-propan-2-yl-5-[[6-(trifluoromethyl)piperidin-3-yl]methylcarbamoyl]pyrazol-3-yl]-3,5-dihydroxyheptanoic acid;hydride?
The canonical SMILES for sodium;(3R,5R)-7-[2-(4-fluorophenyl)-4-propan-2-yl-5-[[6-(trifluoromethyl)piperidin-3-yl]methylcarbamoyl]pyrazol-3-yl]-3,5-dihydroxyheptanoic acid;hydride is CC(C)c1c(C(=O)NCC2CCC(C(F)(F)F)NC2)nn(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;(3R,5R)-7-[2-(4-fluorophenyl)-4-propan-2-yl-5-[[6-(trifluoromethyl)piperidin-3-yl]methylcarbamoyl]pyrazol-3-yl]-3,5-dihydroxyheptanoic acid;hydride?
The InChIKey is TZILXSKJKJLBRG-ZCAILQDESA-N. The full InChI is InChI=1S/C27H36F4N4O5.Na.H/c1-15(2)24-21(9-8-19(36)11-20(37)12-23(38)39)35(18-6-4-17(28)5-7-18)34-25(24)26(40)33-14-16-3-10-22(32-13-16)27(29,30)31;;/h4-7,15-16,19-20,22,32,36-37H,3,8-14H2,1-2H3,(H,33,40)(H,38,39);;/q;+1;-1/t16?,19-,20-,22?;;/m1../s1.
What are the key properties of sodium;(3R,5R)-7-[2-(4-fluorophenyl)-4-propan-2-yl-5-[[6-(trifluoromethyl)piperidin-3-yl]methylcarbamoyl]pyrazol-3-yl]-3,5-dihydroxyheptanoic acid;hydride?
sodium;(3R,5R)-7-[2-(4-fluorophenyl)-4-propan-2-yl-5-[[6-(trifluoromethyl)piperidin-3-yl]methylcarbamoyl]pyrazol-3-yl]-3,5-dihydroxyheptanoic acid;hydride has a molecular weight of 596.60 g/mol, XLogP of 0.43, 12 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(3R,5R)-7-[2-(4-fluorophenyl)-4-propan-2-yl-5-[[6-(trifluoromethyl)piperidin-3-yl]methylcarbamoyl]pyrazol-3-yl]-3,5-dihydroxyheptanoic acid;hydride is sourced from PubChem (CID 173112209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).