4-fluoro-N-[(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide

C27H28F2N4O2 — CID 165139161

IUPAC4-fluoro-N-[(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide
SMILESCC(C)c1ccc(C(NC(=O)C2CC(F)CN2C(=O)Cc2cccnn2)c2ccccc2)cc1F
InChIInChI=1S/C27H28F2N4O2/c1-17(2)22-11-10-19(13-23(22)29)26(18-7-4-3-5-8-18)31-27(35)24-14-20(28)16-33(24)25(34)15-21-9-6-12-30-32-21/h3-13,17,20,24,26H,14-16H2,1-2H3,(H,31,35)
InChIKeyLQDWSTOPZFBLCW-UHFFFAOYSA-N
MW478.54 g/mol
LogP4.13
Rot. Bonds7

About 4-fluoro-N-[(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide

4-fluoro-N-[(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide (PubChem CID 165139161) has the molecular formula C27H28F2N4O2 and a molecular weight of 478.54 g/mol. Its IUPAC name is 4-fluoro-N-[(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide
PubChem CID165139161
Molecular FormulaC27H28F2N4O2
Molecular Weight478.54 g/mol
Exact Mass478.22
IUPAC Name4-fluoro-N-[(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide
SMILESCC(C)c1ccc(C(NC(=O)C2CC(F)CN2C(=O)Cc2cccnn2)c2ccccc2)cc1F
InChIInChI=1S/C27H28F2N4O2/c1-17(2)22-11-10-19(13-23(22)29)26(18-7-4-3-5-8-18)31-27(35)24-14-20(28)16-33(24)25(34)15-21-9-6-12-30-32-21/h3-13,17,20,24,26H,14-16H2,1-2H3,(H,31,35)
InChIKeyLQDWSTOPZFBLCW-UHFFFAOYSA-N
XLogP4.13
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.54
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide 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 4-fluoro-N-[(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-fluoro-N-[(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide (CID 165139161) is 4-fluoro-N-[(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide is CC(C)c1ccc(C(NC(=O)C2CC(F)CN2C(=O)Cc2cccnn2)c2ccccc2)cc1F.
What is the InChIKey of 4-fluoro-N-[(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide?
The InChIKey is LQDWSTOPZFBLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N4O2/c1-17(2)22-11-10-19(13-23(22)29)26(18-7-4-3-5-8-18)31-27(35)24-14-20(28)16-33(24)25(34)15-21-9-6-12-30-32-21/h3-13,17,20,24,26H,14-16H2,1-2H3,(H,31,35).
What are the key properties of 4-fluoro-N-[(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide?
4-fluoro-N-[(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide has a molecular weight of 478.54 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 165139161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).