3-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methyl-1-(1-oxospiro[4H-isochromene-3,4'-cyclohexane]-1'-yl)urea

C25H25FN4O3 — CID 70683239

IUPAC3-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methyl-1-(1-oxospiro[4H-isochromene-3,4'-cyclohexane]-1'-yl)urea
SMILESCN(C(=O)Nc1ccn(-c2ccccc2F)n1)C1CCC2(CC1)Cc1ccccc1C(=O)O2
InChIInChI=1S/C25H25FN4O3/c1-29(24(32)27-22-12-15-30(28-22)21-9-5-4-8-20(21)26)18-10-13-25(14-11-18)16-17-6-2-3-7-19(17)23(31)33-25/h2-9,12,15,18H,10-11,13-14,16H2,1H3,(H,27,28,32)
InChIKeyHOYPAJGPUOBEMZ-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.57
Rot. Bonds3

About 3-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methyl-1-(1-oxospiro[4H-isochromene-3,4'-cyclohexane]-1'-yl)urea

3-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methyl-1-(1-oxospiro[4H-isochromene-3,4'-cyclohexane]-1'-yl)urea (PubChem CID 70683239) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methyl-1-(1-oxospiro[4H-isochromene-3,4'-cyclohexane]-1'-yl)urea.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methyl-1-(1-oxospiro[4H-isochromene-3,4'-cyclohexane]-1'-yl)urea
PubChem CID70683239
Molecular FormulaC25H25FN4O3
Molecular Weight448.50 g/mol
Exact Mass448.19
IUPAC Name3-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methyl-1-(1-oxospiro[4H-isochromene-3,4'-cyclohexane]-1'-yl)urea
SMILESCN(C(=O)Nc1ccn(-c2ccccc2F)n1)C1CCC2(CC1)Cc1ccccc1C(=O)O2
InChIInChI=1S/C25H25FN4O3/c1-29(24(32)27-22-12-15-30(28-22)21-9-5-4-8-20(21)26)18-10-13-25(14-11-18)16-17-6-2-3-7-19(17)23(31)33-25/h2-9,12,15,18H,10-11,13-14,16H2,1H3,(H,27,28,32)
InChIKeyHOYPAJGPUOBEMZ-UHFFFAOYSA-N
XLogP4.57
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methyl-1-(1-oxospiro[4H-isochromene-3,4'-cyclohexane]-1'-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(2-Fluorophenyl)pyrazol-3-yl]-1-methyl-1-(1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-yl)urea
CID 70681111
3-[1-(2-Fluorophenyl)pyrazol-3-yl]-1-methyl-1-(3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-yl)urea
CID 70685339
3-oxo-N-(1-phenylpyrazol-3-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
CID 44583556
3-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methyl-1-(1-oxospiro[4H-pyrano[4,3-c]pyridine-3,4'-cyclohexane]-1'-yl)urea
CID 70685340
3-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methyl-1-spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-ylurea
CID 70689521
1-[1-(2-Fluorophenyl)pyrazol-3-yl]-3-(1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-yl)urea
CID 70695856
Methyl 4-[6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-7-yl]benzoate
CID 135469608
tert-butyl 3-fluoro-2-methyl-4-[3-[[(2R)-1-[(4-propan-2-ylphenyl)carbamoyl]pyrrolidine-2-carbonyl]amino]pyrazol-1-yl]benzoate
CID 177764156
tert-butyl 3-fluoro-2-methyl-4-[3-[[(2R)-1-[[4-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-2-carbonyl]amino]pyrazol-1-yl]benzoate
CID 177764280
tert-butyl 4-[3-[[(2R)-1-[(3-fluoro-4-propan-2-ylphenyl)carbamoyl]pyrrolidine-2-carbonyl]amino]pyrazol-1-yl]benzoate
CID 177764287
methyl 2-[(4-{5-[(3-fluorobenzoyl)amino]-1H-pyrazol-1-yl}-1-piperidinyl)carbonyl]benzoate
CID 42156501
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 55593301

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methyl-1-(1-oxospiro[4H-isochromene-3,4'-cyclohexane]-1'-yl)urea?
The IUPAC name of 3-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methyl-1-(1-oxospiro[4H-isochromene-3,4'-cyclohexane]-1'-yl)urea (CID 70683239) is 3-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methyl-1-(1-oxospiro[4H-isochromene-3,4'-cyclohexane]-1'-yl)urea.
What is the SMILES notation for 3-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methyl-1-(1-oxospiro[4H-isochromene-3,4'-cyclohexane]-1'-yl)urea?
The canonical SMILES for 3-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methyl-1-(1-oxospiro[4H-isochromene-3,4'-cyclohexane]-1'-yl)urea is CN(C(=O)Nc1ccn(-c2ccccc2F)n1)C1CCC2(CC1)Cc1ccccc1C(=O)O2.
What is the InChIKey of 3-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methyl-1-(1-oxospiro[4H-isochromene-3,4'-cyclohexane]-1'-yl)urea?
The InChIKey is HOYPAJGPUOBEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3/c1-29(24(32)27-22-12-15-30(28-22)21-9-5-4-8-20(21)26)18-10-13-25(14-11-18)16-17-6-2-3-7-19(17)23(31)33-25/h2-9,12,15,18H,10-11,13-14,16H2,1H3,(H,27,28,32).
What are the key properties of 3-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methyl-1-(1-oxospiro[4H-isochromene-3,4'-cyclohexane]-1'-yl)urea?
3-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methyl-1-(1-oxospiro[4H-isochromene-3,4'-cyclohexane]-1'-yl)urea has a molecular weight of 448.50 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methyl-1-(1-oxospiro[4H-isochromene-3,4'-cyclohexane]-1'-yl)urea is sourced from PubChem (CID 70683239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).