(3R,5R)-7-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoic acid

C24H32FN3O6 — CID 11627067

IUPAC(3R,5R)-7-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoic acid
SMILESCC(C)c1c(C(=O)N2CCOCC2)nn(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)O
InChIInChI=1S/C24H32FN3O6/c1-15(2)22-20(8-7-18(29)13-19(30)14-21(31)32)28(17-5-3-16(25)4-6-17)26-23(22)24(33)27-9-11-34-12-10-27/h3-6,15,18-19,29-30H,7-14H2,1-2H3,(H,31,32)/t18-,19-/m1/s1
InChIKeyQCBVKGXNVHZNLH-RTBURBONSA-N
MW477.53 g/mol
LogP2.13
Rot. Bonds10

About (3R,5R)-7-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoic acid

(3R,5R)-7-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoic acid (PubChem CID 11627067) has the molecular formula C24H32FN3O6 and a molecular weight of 477.53 g/mol. Its IUPAC name is (3R,5R)-7-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoic acid.

Molecular Properties

Compound Name(3R,5R)-7-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoic acid
PubChem CID11627067
Molecular FormulaC24H32FN3O6
Molecular Weight477.53 g/mol
Exact Mass477.23
IUPAC Name(3R,5R)-7-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoic acid
SMILESCC(C)c1c(C(=O)N2CCOCC2)nn(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)O
InChIInChI=1S/C24H32FN3O6/c1-15(2)22-20(8-7-18(29)13-19(30)14-21(31)32)28(17-5-3-16(25)4-6-17)26-23(22)24(33)27-9-11-34-12-10-27/h3-6,15,18-19,29-30H,7-14H2,1-2H3,(H,31,32)/t18-,19-/m1/s1
InChIKeyQCBVKGXNVHZNLH-RTBURBONSA-N
XLogP2.13
TPSA125.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-7-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoic acid?
The IUPAC name of (3R,5R)-7-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoic acid (CID 11627067) is (3R,5R)-7-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoic acid.
What is the SMILES notation for (3R,5R)-7-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoic acid?
The canonical SMILES for (3R,5R)-7-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoic acid is CC(C)c1c(C(=O)N2CCOCC2)nn(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)O.
What is the InChIKey of (3R,5R)-7-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoic acid?
The InChIKey is QCBVKGXNVHZNLH-RTBURBONSA-N. The full InChI is InChI=1S/C24H32FN3O6/c1-15(2)22-20(8-7-18(29)13-19(30)14-21(31)32)28(17-5-3-16(25)4-6-17)26-23(22)24(33)27-9-11-34-12-10-27/h3-6,15,18-19,29-30H,7-14H2,1-2H3,(H,31,32)/t18-,19-/m1/s1.
What are the key properties of (3R,5R)-7-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoic acid?
(3R,5R)-7-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoic acid has a molecular weight of 477.53 g/mol, XLogP of 2.13, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-7-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoic acid is sourced from PubChem (CID 11627067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).