sodium (3R,5R)-7-[5-[cyclopentyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoate

C26H35FN3NaO5 — CID 68913932

IUPACsodium (3R,5R)-7-[5-[cyclopentyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoate
SMILESCC(C)c1c(C(=O)N(C)C2CCCC2)nn(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]
InChIInChI=1S/C26H36FN3O5.Na/c1-16(2)24-22(13-12-20(31)14-21(32)15-23(33)34)30(19-10-8-17(27)9-11-19)28-25(24)26(35)29(3)18-6-4-5-7-18;/h8-11,16,18,20-21,31-32H,4-7,12-15H2,1-3H3,(H,33,34);/q;+1/p-1/t20-,21-;/m1./s1
InChIKeyMKMZAZNXJUAPAJ-MUCZFFFMSA-M
MW511.57 g/mol
LogP-0.66
Rot. Bonds11

About sodium (3R,5R)-7-[5-[cyclopentyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoate

sodium (3R,5R)-7-[5-[cyclopentyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoate (PubChem CID 68913932) has the molecular formula C26H35FN3NaO5 and a molecular weight of 511.57 g/mol. Its IUPAC name is sodium (3R,5R)-7-[5-[cyclopentyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoate.

Molecular Properties

Compound Namesodium (3R,5R)-7-[5-[cyclopentyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoate
PubChem CID68913932
Molecular FormulaC26H35FN3NaO5
Molecular Weight511.57 g/mol
Exact Mass511.25
IUPAC Namesodium (3R,5R)-7-[5-[cyclopentyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoate
SMILESCC(C)c1c(C(=O)N(C)C2CCCC2)nn(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]
InChIInChI=1S/C26H36FN3O5.Na/c1-16(2)24-22(13-12-20(31)14-21(32)15-23(33)34)30(19-10-8-17(27)9-11-19)28-25(24)26(35)29(3)18-6-4-5-7-18;/h8-11,16,18,20-21,31-32H,4-7,12-15H2,1-3H3,(H,33,34);/q;+1/p-1/t20-,21-;/m1./s1
InChIKeyMKMZAZNXJUAPAJ-MUCZFFFMSA-M
XLogP-0.66
TPSA118.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.57
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze sodium (3R,5R)-7-[5-[cyclopentyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoate 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-[5-[cyclopentyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoate?
The IUPAC name of sodium (3R,5R)-7-[5-[cyclopentyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoate (CID 68913932) is sodium (3R,5R)-7-[5-[cyclopentyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoate.
What is the SMILES notation for sodium (3R,5R)-7-[5-[cyclopentyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoate?
The canonical SMILES for sodium (3R,5R)-7-[5-[cyclopentyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoate is CC(C)c1c(C(=O)N(C)C2CCCC2)nn(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+].
What is the InChIKey of sodium (3R,5R)-7-[5-[cyclopentyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoate?
The InChIKey is MKMZAZNXJUAPAJ-MUCZFFFMSA-M. The full InChI is InChI=1S/C26H36FN3O5.Na/c1-16(2)24-22(13-12-20(31)14-21(32)15-23(33)34)30(19-10-8-17(27)9-11-19)28-25(24)26(35)29(3)18-6-4-5-7-18;/h8-11,16,18,20-21,31-32H,4-7,12-15H2,1-3H3,(H,33,34);/q;+1/p-1/t20-,21-;/m1./s1.
What are the key properties of sodium (3R,5R)-7-[5-[cyclopentyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoate?
sodium (3R,5R)-7-[5-[cyclopentyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoate has a molecular weight of 511.57 g/mol, XLogP of -0.66, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (3R,5R)-7-[5-[cyclopentyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoate is sourced from PubChem (CID 68913932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).