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

C17H21N5O — CID 138808621

IUPAC(2,6-dimethylpyrimidin-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
SMILESCc1cc(C(=O)N2CCCC3(CCc4cn[nH]c43)C2)nc(C)n1
InChIInChI=1S/C17H21N5O/c1-11-8-14(20-12(2)19-11)16(23)22-7-3-5-17(10-22)6-4-13-9-18-21-15(13)17/h8-9H,3-7,10H2,1-2H3,(H,18,21)
InChIKeyOLIQMQDMKLDQRC-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.94
Rot. Bonds1

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

(2,6-dimethylpyrimidin-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone (PubChem CID 138808621) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (2,6-dimethylpyrimidin-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(2,6-dimethylpyrimidin-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
PubChem CID138808621
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(2,6-dimethylpyrimidin-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
SMILESCc1cc(C(=O)N2CCCC3(CCc4cn[nH]c43)C2)nc(C)n1
InChIInChI=1S/C17H21N5O/c1-11-8-14(20-12(2)19-11)16(23)22-7-3-5-17(10-22)6-4-13-9-18-21-15(13)17/h8-9H,3-7,10H2,1-2H3,(H,18,21)
InChIKeyOLIQMQDMKLDQRC-UHFFFAOYSA-N
XLogP1.94
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(8-methylimidazo[1,2-a]pyridin-2-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 138806654
(5-methyl-2-phenyl-1H-imidazol-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 138806015
(2-methyl-1,3-benzoxazol-6-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 163313939
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
quinoxalin-6-yl(spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl)methanone
CID 163306044
[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
(4-fluoro-3-methoxyphenyl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 138810477
(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
1-cyclopropyl-4-methyl-3-(spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-carbonyl)pyridin-2-one
CID 172660310
(2,6-dimethylpyrimidin-4-yl)-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)methanone
CID 56740288

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpyrimidin-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone?
The IUPAC name of (2,6-dimethylpyrimidin-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone (CID 138808621) is (2,6-dimethylpyrimidin-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (2,6-dimethylpyrimidin-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone?
The canonical SMILES for (2,6-dimethylpyrimidin-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone is Cc1cc(C(=O)N2CCCC3(CCc4cn[nH]c43)C2)nc(C)n1.
What is the InChIKey of (2,6-dimethylpyrimidin-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone?
The InChIKey is OLIQMQDMKLDQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-11-8-14(20-12(2)19-11)16(23)22-7-3-5-17(10-22)6-4-13-9-18-21-15(13)17/h8-9H,3-7,10H2,1-2H3,(H,18,21).
What are the key properties of (2,6-dimethylpyrimidin-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone?
(2,6-dimethylpyrimidin-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone has a molecular weight of 311.39 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpyrimidin-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 138808621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).