(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone

C22H24N4O — CID 74237900

IUPAC(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone
SMILESCc1cc2nc(C(=O)N3CCC4(CCc5ccccc54)CC3)cc(C)n2n1
InChIInChI=1S/C22H24N4O/c1-15-13-20-23-19(14-16(2)26(20)24-15)21(27)25-11-9-22(10-12-25)8-7-17-5-3-4-6-18(17)22/h3-6,13-14H,7-12H2,1-2H3
InChIKeyHERYUOVUGVUEDR-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.47
Rot. Bonds1

About (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone

(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone (PubChem CID 74237900) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone
PubChem CID74237900
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone
SMILESCc1cc2nc(C(=O)N3CCC4(CCc5ccccc54)CC3)cc(C)n2n1
InChIInChI=1S/C22H24N4O/c1-15-13-20-23-19(14-16(2)26(20)24-15)21(27)25-11-9-22(10-12-25)8-7-17-5-3-4-6-18(17)22/h3-6,13-14H,7-12H2,1-2H3
InChIKeyHERYUOVUGVUEDR-UHFFFAOYSA-N
XLogP3.47
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110849860
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone
CID 74251345
(6-methyl-3-pyridinyl)-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone
CID 97452662
[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
CID 56890492
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 66954084
[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
CID 56867040
1'-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 56896792
azepan-1-yl-(7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
CID 53175345
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
CID 70738252
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 56883004
1-methyl-N-[(1S)-1-[4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide
CID 171913671
(4aR,8aS)-6-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)-1,2,3,4,5,7,8,8a-octahydro-1,6-naphthyridine-4a-carboxylic acid
CID 133130337

Frequently Asked Questions

What is the IUPAC name of (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone (CID 74237900) is (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone is Cc1cc2nc(C(=O)N3CCC4(CCc5ccccc54)CC3)cc(C)n2n1.
What is the InChIKey of (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone?
The InChIKey is HERYUOVUGVUEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15-13-20-23-19(14-16(2)26(20)24-15)21(27)25-11-9-22(10-12-25)8-7-17-5-3-4-6-18(17)22/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone?
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone has a molecular weight of 360.46 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 74237900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).