[3-(4-fluorophenyl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone

C20H20FN5O — CID 131669620

IUPAC[3-(4-fluorophenyl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCC2(Cc3ncc(-c4ccc(F)cc4)n3C2)C1
InChIInChI=1S/C20H20FN5O/c1-24-16(6-8-23-24)19(27)25-9-7-20(12-25)10-18-22-11-17(26(18)13-20)14-2-4-15(21)5-3-14/h2-6,8,11H,7,9-10,12-13H2,1H3
InChIKeyMAJCTGKLJNLARR-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.51
Rot. Bonds2

About [3-(4-fluorophenyl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone

[3-(4-fluorophenyl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 131669620) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is [3-(4-fluorophenyl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID131669620
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name[3-(4-fluorophenyl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCC2(Cc3ncc(-c4ccc(F)cc4)n3C2)C1
InChIInChI=1S/C20H20FN5O/c1-24-16(6-8-23-24)19(27)25-9-7-20(12-25)10-18-22-11-17(26(18)13-20)14-2-4-15(21)5-3-14/h2-6,8,11H,7,9-10,12-13H2,1H3
InChIKeyMAJCTGKLJNLARR-UHFFFAOYSA-N
XLogP2.51
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(4-fluorophenyl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone 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 [3-(4-fluorophenyl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [3-(4-fluorophenyl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone (CID 131669620) is [3-(4-fluorophenyl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CCC2(Cc3ncc(-c4ccc(F)cc4)n3C2)C1.
What is the InChIKey of [3-(4-fluorophenyl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is MAJCTGKLJNLARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-24-16(6-8-23-24)19(27)25-9-7-20(12-25)10-18-22-11-17(26(18)13-20)14-2-4-15(21)5-3-14/h2-6,8,11H,7,9-10,12-13H2,1H3.
What are the key properties of [3-(4-fluorophenyl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone?
[3-(4-fluorophenyl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 365.41 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 131669620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).