(5-methyl-2-phenyl-1H-imidazol-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone

C21H23N5O — CID 138806015

IUPAC(5-methyl-2-phenyl-1H-imidazol-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
SMILESCc1[nH]c(-c2ccccc2)nc1C(=O)N1CCCC2(CCc3cn[nH]c32)C1
InChIInChI=1S/C21H23N5O/c1-14-17(24-19(23-14)15-6-3-2-4-7-15)20(27)26-11-5-9-21(13-26)10-8-16-12-22-25-18(16)21/h2-4,6-7,12H,5,8-11,13H2,1H3,(H,22,25)(H,23,24)
InChIKeyLJIDJRVTQNWJQO-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.23
Rot. Bonds2

About (5-methyl-2-phenyl-1H-imidazol-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone

(5-methyl-2-phenyl-1H-imidazol-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone (PubChem CID 138806015) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is (5-methyl-2-phenyl-1H-imidazol-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(5-methyl-2-phenyl-1H-imidazol-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
PubChem CID138806015
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name(5-methyl-2-phenyl-1H-imidazol-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
SMILESCc1[nH]c(-c2ccccc2)nc1C(=O)N1CCCC2(CCc3cn[nH]c32)C1
InChIInChI=1S/C21H23N5O/c1-14-17(24-19(23-14)15-6-3-2-4-7-15)20(27)26-11-5-9-21(13-26)10-8-16-12-22-25-18(16)21/h2-4,6-7,12H,5,8-11,13H2,1H3,(H,22,25)(H,23,24)
InChIKeyLJIDJRVTQNWJQO-UHFFFAOYSA-N
XLogP3.23
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-methyl-2-phenyl-1H-imidazol-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone 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

(5-methyl-2-phenyl-1H-imidazol-4-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135116258
(2,6-dimethylpyrimidin-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 138808621
2-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72926019
spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 163307990
(8-methylimidazo[1,2-a]pyridin-2-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 138806654
[3-(1H-pyrazol-4-yl)phenyl]-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 163314428
(4-methylpyrazolo[1,5-a]pyridin-3-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 139599004
(2-methyl-1,3-benzoxazol-6-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 163313939
(5-cyclohexyl-1H-pyrazol-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 138806087
(3-fluoro-2-methoxyphenyl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 138809919
3-phenoxy-1-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropan-1-one
CID 138807778
quinoxalin-6-yl(spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl)methanone
CID 163306044

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenyl-1H-imidazol-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone?
The IUPAC name of (5-methyl-2-phenyl-1H-imidazol-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone (CID 138806015) is (5-methyl-2-phenyl-1H-imidazol-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (5-methyl-2-phenyl-1H-imidazol-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone?
The canonical SMILES for (5-methyl-2-phenyl-1H-imidazol-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone is Cc1[nH]c(-c2ccccc2)nc1C(=O)N1CCCC2(CCc3cn[nH]c32)C1.
What is the InChIKey of (5-methyl-2-phenyl-1H-imidazol-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone?
The InChIKey is LJIDJRVTQNWJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-14-17(24-19(23-14)15-6-3-2-4-7-15)20(27)26-11-5-9-21(13-26)10-8-16-12-22-25-18(16)21/h2-4,6-7,12H,5,8-11,13H2,1H3,(H,22,25)(H,23,24).
What are the key properties of (5-methyl-2-phenyl-1H-imidazol-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone?
(5-methyl-2-phenyl-1H-imidazol-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone has a molecular weight of 361.45 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenyl-1H-imidazol-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 138806015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).