2-[3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]phenoxy]-N-methyl-N-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide

C25H27FN4O8 — CID 71263740

IUPAC2-[3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]phenoxy]-N-methyl-N-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
SMILESCN(C(=O)COc1cccc(C(=O)c2cnn(-c3ccc(F)cc3)c2N)c1)C1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C25H27FN4O8/c1-29(25-23(36)22(35)21(34)18(11-31)38-25)19(32)12-37-16-4-2-3-13(9-16)20(33)17-10-28-30(24(17)27)15-7-5-14(26)6-8-15/h2-10,18,21-23,25,31,34-36H,11-12,27H2,1H3/t18-,21-,22+,23+,25?/m1/s1
InChIKeyZERMWNFOLHGMCT-OEBKIZILSA-N
MW530.51 g/mol
LogP-0.54
Rot. Bonds8

About 2-[3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]phenoxy]-N-methyl-N-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide

2-[3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]phenoxy]-N-methyl-N-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide (PubChem CID 71263740) has the molecular formula C25H27FN4O8 and a molecular weight of 530.51 g/mol. Its IUPAC name is 2-[3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]phenoxy]-N-methyl-N-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]phenoxy]-N-methyl-N-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
PubChem CID71263740
Molecular FormulaC25H27FN4O8
Molecular Weight530.51 g/mol
Exact Mass530.18
IUPAC Name2-[3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]phenoxy]-N-methyl-N-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
SMILESCN(C(=O)COc1cccc(C(=O)c2cnn(-c3ccc(F)cc3)c2N)c1)C1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C25H27FN4O8/c1-29(25-23(36)22(35)21(34)18(11-31)38-25)19(32)12-37-16-4-2-3-13(9-16)20(33)17-10-28-30(24(17)27)15-7-5-14(26)6-8-15/h2-10,18,21-23,25,31,34-36H,11-12,27H2,1H3/t18-,21-,22+,23+,25?/m1/s1
InChIKeyZERMWNFOLHGMCT-OEBKIZILSA-N
XLogP-0.54
TPSA180.60 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.51
LogP ≤ 5-0.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 2-[3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]phenoxy]-N-methyl-N-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide 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 2-[3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]phenoxy]-N-methyl-N-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide?
The IUPAC name of 2-[3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]phenoxy]-N-methyl-N-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide (CID 71263740) is 2-[3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]phenoxy]-N-methyl-N-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide.
What is the SMILES notation for 2-[3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]phenoxy]-N-methyl-N-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide?
The canonical SMILES for 2-[3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]phenoxy]-N-methyl-N-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide is CN(C(=O)COc1cccc(C(=O)c2cnn(-c3ccc(F)cc3)c2N)c1)C1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of 2-[3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]phenoxy]-N-methyl-N-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide?
The InChIKey is ZERMWNFOLHGMCT-OEBKIZILSA-N. The full InChI is InChI=1S/C25H27FN4O8/c1-29(25-23(36)22(35)21(34)18(11-31)38-25)19(32)12-37-16-4-2-3-13(9-16)20(33)17-10-28-30(24(17)27)15-7-5-14(26)6-8-15/h2-10,18,21-23,25,31,34-36H,11-12,27H2,1H3/t18-,21-,22+,23+,25?/m1/s1.
What are the key properties of 2-[3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]phenoxy]-N-methyl-N-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide?
2-[3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]phenoxy]-N-methyl-N-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide has a molecular weight of 530.51 g/mol, XLogP of -0.54, 8 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]phenoxy]-N-methyl-N-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide is sourced from PubChem (CID 71263740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).